{"id":36,"date":"2014-03-06T22:53:46","date_gmt":"2014-03-06T13:53:46","guid":{"rendered":"http:\/\/barato.sci.hokudai.ac.jp\/~qc\/?page_id=36"},"modified":"2026-01-30T19:15:32","modified_gmt":"2026-01-30T10:15:32","slug":"seminar","status":"publish","type":"page","link":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/seminar\/","title":{"rendered":"\u5317\u5927\u7406\u8ad6\u5316\u5b66\u30bb\u30df\u30ca\u30fc"},"content":{"rendered":"<p>\n<h2>\u7b2c1\u56de\uff08\u5e73\u621017\u5e7411\u670824\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5ca9\u7530 \u672b\u5ee3 \u6559\u6388<\/strong>\uff08\u5e83\u5cf6\u5927\u5b66\u91cf\u5b50\u751f\u547d\u79d1\u5b66\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\uff09<br \/>\n\u300c\u96fb\u5b50\uff0d\u6c34\u7d20\u7d50\u5408:\u4f59\u5270\u96fb\u5b50\u306e\u5b89\u5b9a\u5316\u6a5f\u69cb\u300d<\/p>\n<br \/>\n<h2>\u7b2c2\u56de\uff08\u5e73\u621018\u5e743\u67083\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Chantal Daniel<\/strong> (Laboratoire de Chimie Quantique CNRS)<br \/>\nTransition metal complexes excited states: Quantum chemistry and quantum dynamics<\/p>\n<br \/>\n<h2>\u7b2c3\u56de\uff08\u5e73\u621018\u5e743\u670816\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u77f3\u7530 \u5b5d\u4fe1 \u6559\u6388<\/strong> (\u30cb\u30e5\u30fc\u30e8\u30fc\u30af\u5dde\u7acb\u5927\u5b66\u30b9\u30c8\u30fc\u30cb\u30fc\u30d6\u30eb\u30c3\u30af\u6821)<br \/>\n\u300c\u540c\u4f4d\u4f53\u306e\u5316\u5b66\u3078\u306e\u8a98\u3044\u300d<\/p>\n<br \/>\n<h2>\u7b2c4\u56de\uff08\u5e73\u621018\u5e744\u670824\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u77f3\u4e95 \u5553\u7b56 \u535a\u58eb<\/strong> (\u6771\u4eac\u5927\u5b66 \u5927\u5b66\u9662\u5de5\u5b66\u7cfb\u7814\u7a76\u79d1 \u5c71\u4e0b\u7814\u7a76\u5ba4)<br \/>\n\u300c\u89e3\u96e2\u6027\u518d\u7d50\u5408\u53cd\u5fdc HCNH+ + e- \u2192 HNC\/HCN + H \u306e\u5206\u5c90\u6bd4\u306b\u95a2\u3059\u308b\u6ce2\u675f\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u300d<\/p>\n<br \/>\n<h2>\u7b2c5\u56de\uff08\u5e73\u621018\u5e7412\u67085\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u52a0\u85e4 \u8cb4 \u52a9\u624b<\/strong> (\u9577\u5d0e\u7dcf\u5408\u79d1\u5b66\u5927\u5b66\u5927\u5b66\u9662\u5de5\u5b66\u7814\u7a76\u79d1)<br \/>\nElectron-phonon interactions in the photoinduced electronic states in molecular crystals<\/p>\n<br \/>\n<h2>\u7b2c6\u56de\uff08\u5e73\u621019\u5e742\u670828\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u9577\u5d8b \u96f2\u5175 \u6559\u6388<\/strong> (\u7523\u696d\u6280\u8853\u7dcf\u5408\u7814\u7a76\u6240 \u8a08\u7b97\u79d1\u5b66\u7814\u7a76\u90e8\u9580)<br \/>\nDNA and Estrogen Receptor Interaction Revealed by the Fragment Molecular Orbital Method<\/p>\n<br \/>\n<h2>\u7b2c7\u56de\uff08\u5e73\u621019\u5e744\u67083\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5c0f\u677e\u5d0e \u6c11\u6a39 \u52a9\u6559\u6388<\/strong> (\u795e\u6238\u5927\u5b66 \u7406\u5b66\u90e8\u5730\u7403\u60d1\u661f\u79d1\u5b66\u79d1)<br \/>\n\u300c\u5316\u5b66\u53cd\u5fdc\u306b\u304a\u3051\u308b\u5076\u7136\u3068\u5fc5\u7136\u3000\u2015\u975e\u518d\u4ea4\u5dee\u4eee\u5b9a\u3092\u6e80\u305f\u3059\u9077\u79fb\u72b6\u614b\u306e\u53b3\u5bc6\u89e3\u3068\u305d\u306e\u5b58\u5728\u6761\u4ef6\u2015\u300d<\/p>\n<br \/>\n<h2>\u7b2c8\u56de\uff08\u5e73\u621019\u5e747\u670810\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u7d30\u4e95 \u6674\u5b50 \u535a\u58eb<\/strong> (\u7406\u5316\u5b66\u7814\u7a76\u6240 \u7530\u539f\u5206\u5b50\u5206\u5149\u7814\u7a76\u5ba4)<br \/>\n\u300c\u86cd\u5149\u30bf\u30f3\u30d1\u30af\u8cea\u306e\u767a\u5149\u30e1\u30ab\u30cb\u30ba\u30e0\u306b\u95a2\u3059\u308b\u7814\u7a76\u300d<\/p>\n<br \/>\n<h2>\u7b2c9\u56de\uff08\u5e73\u621019\u5e747\u670823\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u77f3\u4e95 \u5553\u7b56 \u535a\u58eb<\/strong> (\u6771\u4eac\u5927\u5b66 \u5927\u5b66\u9662\u5de5\u5b66\u7cfb\u7814\u7a76\u79d1 \u5c71\u4e0b\u7814\u7a76\u5ba4)<br \/>\n\u300cAb initio\u5206\u5b50\u8ecc\u9053\u6cd5\u306b\u3088\u308bNaN, MgN, KN, CaN \u306e\u5206\u5149\u5b66\u5b9a\u6570\u306e\u7406\u8ad6\u7684\u4e88\u6e2c\u300d<\/p>\n<br \/>\n<h2>\u7b2c10\u56de\uff08\u5e73\u621019\u5e749\u670821\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Oleg Prezhdo<\/strong> (University of Washington, USA)<br \/>\nDYNAMICS ON THE NANOSCALE: Time-domain ab initio studies of carbon nanotubes, quantum dots, and molecule-semiconductor interfaces<\/p>\n<br \/>\n<h2>\u7b2c11\u56de\uff08\u5e73\u621019\u5e7412\u670811\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5bfa\u672c \u592e \u535a\u58eb<\/strong> (\u5317\u6d77\u9053\u5927\u5b66 \u96fb\u5b50\u79d1\u5b66\u7814\u7a76\u6240 \u5c0f\u677e\u5d0e\u7814\u7a76\u5ba4)<br \/>\n\u300c\u30e2\u30fc\u30c9\u9078\u629e\u6027\u3092\u793a\u3059\u751f\u4f53\u5206\u5b50\u306e\u80cc\u5f8c\u306b\u6f5c\u3080\u76f8\u7a7a\u9593\u69cb\u9020\u306e\u89e3\u660e\u3092\u76ee\u6307\u3057\u3066\u300d<\/p>\n<br \/>\n<h2>\u7b2c12\u56de\uff08\u5e73\u621019\u5e7412\u670812\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. K. Birgitta Whaley<\/strong> (University of California, Berkeley, USA)<br \/>\nSpectroscopy of Planar Aromatic Molecules in Superfluid Helium<\/p>\n<br \/>\n<h2>\u7b2c13\u56de\uff08\u5e73\u621020\u5e744\u670822\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u4e2d\u5c71 \u54f2 \u52a9\u6559<\/strong> (\u5317\u6d77\u9053\u5927\u5b66 \u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662 \u5316\u5b66\u90e8\u9580)<br \/>\n\u300c\u51dd\u7e2e\u7cfb\u306e\u91cf\u5b50\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3-\u7d4c\u8def\u7a4d\u5206\u306b\u3088\u308b\u30a2\u30d7\u30ed\u30fc\u30c1-\u300d<br \/>\n\uff08\u7b2c24\u56deHSS\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c14\u56de\uff08\u5e73\u621021\u5e742\u670825\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u9577\u5d8b \u96f2\u5175 \u6559\u6388<\/strong> (\u7523\u696d\u6280\u8853\u7dcf\u5408\u7814\u7a76\u6240 \u8a08\u7b97\u79d1\u5b66\u7814\u7a76\u90e8\u9580)<br \/>\nMolecular Orbital Calculation beyond Adiabatic Approximation: Multi-Component Molecular Orbital Method<\/p>\n<br \/>\n<h2>\u7b2c15\u56de\uff08\u5e73\u621021\u5e7410\u670821\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5c71\u5d0e \u7965\u5e73 \u535a\u58eb<\/strong> (\u5317\u6d77\u9053\u5927\u5b66 \u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662 \u5316\u5b66\u90e8\u9580)<br \/>\n\u300cDNA\u5869\u57fa\u306e\u5149\u5b89\u5b9a\u6027\uff1a\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u3088\u308b\u89e3\u660e\u300d<br \/>\n\uff08\u7b2c36\u56deHSS\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c16\u56de\uff08\u5e73\u621022\u5e743\u670817\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Ahmed M. ElNahas<\/strong> (El-Menoufia University, Egypt)<br \/>\nComputational Studies on Biofuel<\/p>\n<br \/>\n<h2>\u7b2c17\u56de\uff08\u5e73\u621022\u5e746\u67084\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Ram Kinkar Roy<\/strong> (Birla Institute of Technology and Science, India)<br \/>\nA Comprehensive Decomposition Analysis of DFT Based Stabilization Energy (CDASE) and Its Relevance to Reaction Kinetics and Thermodynamics<\/p>\n<br \/>\n<h2>\u7b2c18\u56de\uff08\u5e73\u621022\u5e747\u67082\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u6cb3\u5408 \u4fe1\u4e4b\u8f14 \u535a\u58eb<\/strong> (\u5317\u6d77\u9053\u5927\u5b66 \u96fb\u5b50\u79d1\u5b66\u7814\u7a76\u6240 \u5c0f\u677e\u5d0e\u7814\u7a76\u5ba4)<br \/>\n\u300c\u51dd\u7e2e\u76f8\u53cd\u5fdc\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u306e\u6b21\u5143\u7e2e\u7d04\u89e3\u6790\u3068\u771f\u306e\u53cd\u5fdc\u81ea\u7531\u5ea6\u306e\u62bd\u51fa\u300d<\/p>\n<br \/>\n<h2>\u7b2c19\u56de\uff08\u5e73\u621022\u5e7410\u670821\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Michael W. Schmidt<\/strong> (Iowa State Univ., USA)<br \/>\nThe paradoxical (\u9006\u8aac) role of kinetic energy in bonding<\/p>\n<br \/>\n<h2>\u7b2c20\u56de\uff08\u5e73\u621023\u5e743\u670814\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u7af9\u5185 \u6d69 \u52a9\u6559<\/strong> (\u5317\u6d77\u9053\u5927\u5b66 \u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662 \u5316\u5b66\u90e8\u9580)<br \/>\n\u300c\u5206\u5b50\u30af\u30e9\u30b9\u30bf\u30fc\u306e\u5927\u57df\u7684\u69cb\u9020\u6700\u9069\u5316\u300d<br \/>\n\uff08\u7b2c47\u56deHSS\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c21\u56de\uff08\u5e73\u621023\u5e7410\u670814\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Marek Wojcik<\/strong> (Jagiellonian University, Poland)<br \/>\nTheoretical Modeling of Vibrational Spectra and Multidimensional Proton Tunneling in Hydrogen-Bonded Systems<\/p>\n<br \/>\n<h2>\u7b2c22\u56de\uff08\u5e73\u621023\u5e7411\u67084\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u6c38\u7530 \u6b66\u53f2 \u535a\u58eb<\/strong> (\u4eac\u90fd\u5927\u5b66\u5927\u5b66\u9662\u85ac\u5b66\u7814\u7a76\u79d1(\u7523\u7dcf\u7814\u52e4\u52d9))<br \/>\n\u300c\u5de8\u5927\u5206\u5b50\u306e\u305f\u3081\u306e\u30d5\u30e9\u30b0\u30e1\u30f3\u30c8\u5206\u5b50\u8ecc\u9053\u6cd5\u306e\u958b\u767a\u300d<\/p>\n<br \/>\n<h2>\u7b2c23\u56de\uff08\u5e73\u621023\u5e7412\u670812\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u52a0\u85e4 \u8cb4 \u51c6\u6559\u6388<\/strong> (\u9577\u5d0e\u7dcf\u5408\u79d1\u5b66\u5927\u5b66\u5927\u5b66\u9662 \u5de5\u5b66\u7814\u7a76\u79d1 \u65b0\u6280\u8853\u5275\u6210\u7814\u7a76\u6240)<br \/>\n\u300c\u632f\u96fb\u76f8\u4e92\u4f5c\u7528\u3068\u8d85\u4f1d\u5c0e\u767a\u73fe\u6a5f\u69cb\u306e\u7406\u8ad6\u7684\u7814\u7a76\u300d<\/p>\n<br \/>\n<h2>\u7b2c24\u56de\uff08\u5e73\u621024\u5e743\u67087\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Associate Prof. Nisanth N. Nair<\/strong> (Indian Institute of Technology, Kanpur, India)<br \/>\nChemical Reactions in Virtual Laboratory<\/p>\n<br \/>\n<h2>\u7b2c25\u56de\uff08\u5e73\u621024\u5e744\u670825\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u53e4\u6ff1 \u5f69\u5b50 \u535a\u58eb<\/strong> (\u56fd\u7acb\u74b0\u5883\u7814\u7a76\u6240\u3000\u74b0\u5883\u30ea\u30b9\u30af\u7814\u7a76\u30bb\u30f3\u30bf\u30fc)<br \/>\n\u300c\u5316\u5b66\u7269\u8cea\u306e\u69cb\u9020\u306b\u57fa\u3065\u304f\u751f\u614b\u6bd2\u6027\u4e88\u6e2c\u624b\u6cd5\u306e\u958b\u767a\u300d<\/p>\n<br \/>\n<h2>\u7b2c26\u56de\uff08\u5e73\u621024\u5e745\u67088\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u68ee \u8056\u6cbb \u6559\u6388<\/strong> (\u8328\u57ce\u5927\u5b66\u3000\u7406\u5b66\u90e8)<br \/>\n\u300c\u8a08\u7b97\u5316\u5b66\u306b\u3088\u308b\u5316\u5b66\u53cd\u5fdc\u6a5f\u69cb\u306e\u89e3\u660e\u300d<\/p>\n<br \/>\n<h2>\u7b2c27\u56de\uff08\u5e73\u621024\u5e745\u670814\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. John E. Straub<\/strong> (Boston University, USA)<br \/>\nDynamics of methionine ligand rebinding in cytochrome c<br \/>\n\uff08\u65e5\u672c\u751f\u7269\u7269\u7406\u5b66\u4f1a\u5317\u6d77\u9053\u652f\u90e8\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c28\u56de\uff08\u5e73\u621024\u5e748\u67081\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u524d\u7530 \u7406 \u52a9\u6559<\/strong> (\u5317\u6d77\u9053\u5927\u5b66 \u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662 \u5316\u5b66\u90e8\u9580)<br \/>\n\u300c\u5316\u5b66\u53cd\u5fdc\u7d4c\u8def\u306e\u81ea\u52d5\u63a2\u7d22\uff1a\u5316\u5b66\u306e\u4e16\u754c\u306e\u591a\u5909\u6570\u95a2\u6570\u89e3\u6790\u300d<br \/>\n\uff08\u7b2c57\u56deHSS\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c29\u56de\uff08\u5e73\u621024\u5e748\u670830\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u8af8\u718a \u594e\u6cbb \u5148\u751f<\/strong> (\u4eac\u90fd\u5927\u5b66\u798f\u4e95\u8b19\u4e00\u8a18\u5ff5\u7814\u7a76\u30bb\u30f3\u30bf\u30fc)<br \/>\n\u300c\u8907\u96d1\u306a\u5206\u5b50\u306e\u5316\u5b66\u53cd\u5fdc\u304c\u7406\u8ad6\u8a08\u7b97\u5316\u5b66\u306b\u3088\u3063\u3066\u3069\u308c\u4f4d\u5206\u304b\u308b\u3088\u3046\u306b\u306a\u3063\u305f\u304b\uff1f\u300d<br \/>\n\uff08\u65e5\u672c\u5316\u5b66\u4f1a\u5317\u6d77\u9053\u652f\u90e8\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c30\u56de\uff08\u5e73\u621025\u5e741\u67088\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u677e\u6c38 \u4ec1\u57ce\u592a \u6559\u6388<\/strong> (Long Island University, USA)<br \/>\nMotion of Nuclei and Motion of Electron<\/p>\n<br \/>\n<h2>\u7b2c31\u56de\uff08\u5e73\u621025\u5e742\u67084\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u516b\u6728 \u6e05 \u535a\u58eb<\/strong> (\u7406\u5316\u5b66\u7814\u7a76\u6240)<br \/>\n\u300c\u6700\u9069\u5316\u632f\u52d5\u5ea7\u6a19\u306b\u57fa\u3065\u304fVSCF\u6cd5\u304a\u3088\u3073VCI\u6cd5\u300d<\/p>\n<br \/>\n<h2>\u7b2c32\u56de\uff08\u5e73\u621025\u5e744\u670817\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Marek Wojcik<\/strong> (Jagiellonian University, Poland)<br \/>\nSpectroscopy of Hydrogen Bond: Theoretical Modeling of Spectra and Proton Tunneling<\/p>\n<br \/>\n<h2>\u7b2c33\u56de\uff08\u5e73\u621025\u5e747\u67081\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Roberto Marquardt<\/strong> (Laboratoire de Chimie Quantique, Universite de Strasbourg, France)<br \/>\nGlobal Analytical Representations of Potential Energy Surfaces for Spectroscopy and Molecular Quantum Dynamics<\/p>\n<br \/>\n<h2>\u7b2c34\u56de\uff08\u5e73\u621025\u5e747\u67085\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Jianhua Xing<\/strong> (Virginia Polytechnic Institute and State University, USA)<br \/>\nMathematical modeling of mammalian cell reprogramming<br \/>\n\uff08\u65e5\u672c\u751f\u7269\u7269\u7406\u5b66\u4f1a\u5317\u6d77\u9053\u652f\u90e8\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c35\u56de\uff08\u5e73\u621025\u5e748\u670829\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5927\u91ce \u516c\u4e00 \u6559\u6388<\/strong> (\u91cf\u5b50\u5316\u5b66\u63a2\u7d22\u7814\u7a76\u6240\u30fb\u6771\u5317\u5927\u5b66)<br \/>\n\u300c\u5316\u5b66\u53cd\u5fdc\u7d4c\u8def\u81ea\u52d5\u63a2\u7d22\u30d7\u30ed\u30b0\u30e9\u30e0GRRM\u306e\u958b\u767a\u300d<\/p>\n<br \/>\n<h2>\u7b2c36\u56de\uff08\u5e73\u621025\u5e749\u67085\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Adriana Pietropaolo<\/strong> (Catanzaro University, Italy)<br \/>\nHelical polymer switching from enhanced sampling simulations<br \/>\n\uff08\u5317\u5927\u7406\u8ad6\u5316\u5b66\u5408\u540c\u30bb\u30df\u30ca\u30fc2013\uff09<\/p>\n<br \/>\n<h2>\u7b2c37\u56de\uff08\u5e73\u621025\u5e749\u670819\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u6238\u7530 \u5e79\u4eba \u51c6\u6559\u6388<\/strong> \uff08\u5948\u826f\u5973\u5b50\u5927\u5b66 \u7406\u5b66\u90e8 \u7269\u7406\u79d1\u5b66\u79d1\uff09<br \/>\n\u300c\u751f\u4f53\u5206\u5b50\u306e\u5206\u5b50\u52d5\u529b\u5b66\u30c7\u30fc\u30bf\u306b\u5bfe\u3059\u308b\u30a6\u30a8\u30fc\u30d6\u30ec\u30c3\u30c8\u5909\u63db\u3092\u7528\u3044\u305f\u6642\u7cfb\u5217\u89e3\u6790\u300d<br \/>\n\uff08\u65e5\u672c\u751f\u7269\u7269\u7406\u5b66\u4f1a\u5317\u6d77\u9053\u652f\u90e8\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c38\u56de\uff08\u5e73\u621025\u5e7412\u670813\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Rigoberto Hernandez<\/strong> (Georgia Institute of Technology, USA)<br \/>\nAdaptive steered molecular dynamics (ASMD): Unfolding of Neuropeptide Y and decaalanine stretching<br \/>\n\uff08\u65e5\u672c\u5316\u5b66\u4f1a\u5317\u6d77\u9053\u652f\u90e8\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c39\u56de\uff08\u5e73\u621026\u5e741\u670817\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5c0f\u6797 \u6b63\u4eba \u52a9\u6559<\/strong> \uff08\u65e9\u7a32\u7530\u5927\u5b66\u9ad8\u7b49\u7814\u7a76\u6240\uff09<br \/>\n\u300c\u5927\u898f\u6a21\u7cfb\u306e\u52d5\u7684\u304a\u3088\u3073\u9759\u7684\u96fb\u5b50\u76f8\u95a2\u8a08\u7b97\u300d<\/p>\n<br \/>\n<h2>\u7b2c40\u56de\uff08\u5e73\u621026\u5e741\u670817\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u8d64\u9593 \u77e5\u5b50 \u535a\u58eb<\/strong> \uff08\u4e0a\u667a\u5927\u5b66\u7406\u5de5\u5b66\u90e8\u3000\u5b66\u632fPD\uff09<br \/>\n\u300c\u5b9f\u6642\u9593\u767a\u5c55(RT) TDHF\/TDDFT\u306b\u3088\u308b\u96fb\u5b50\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u306e\u8a18\u8ff0\u300d<\/p>\n<br \/>\n<h2>\u7b2c41\u56de\uff08\u5e73\u621026\u5e745\u670812\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u6771 \u96c5\u5927 \u52a9\u6559<\/strong> \uff08\u7409\u7403\u5927\u5b66\u7406\u5b66\u90e8\u6d77\u6d0b\u81ea\u7136\u79d1\u5b66\u79d1\u5316\u5b66\u7cfb\uff09<br \/>\n\u300c\u5206\u5b50\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u308b\u51dd\u7e2e\u76f8\u4e2d\u306e\u52b1\u8d77\u72b6\u614b\u53cd\u5fdc\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u306e\u5b9a\u91cf\u7684\u7406\u89e3\u3092\u76ee\u6307\u3057\u3066\u300d<br \/>\n\uff08\u7b2c344\u56de \u89e6\u5a92\u5316\u5b66\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c42\u56de\uff08\u5e73\u621026\u5e746\u670812\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5e38\u7530 \u8cb4\u592b \u6559\u6388<\/strong>\u00a0\uff08\u5c71\u68a8\u5927\u5b66\u71c3\u6599\u96fb\u6c60\u30ca\u30ce\u6750\u6599\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\uff09<br \/>\n\u300c\u8ecc\u9053\u30a8\u30cd\u30eb\u30ae\u30fc\u300d<\/p>\n<br \/>\n<h2>\u7b2c43\u56de\uff08\u5e73\u621026\u5e747\u670815\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5409\u6fa4 \u4e00\u6210 \u6559\u6388<\/strong> \uff08\u4e5d\u5dde\u5927\u5b66\u5148\u5c0e\u7269\u8cea\u5316\u5b66\u7814\u7a76\u6240\uff09<br \/>\n\u300c\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306b\u3088\u308b\u9175\u7d20\u53cd\u5fdc\u306e\u6a5f\u69cb\u89e3\u660e\u3068\u305d\u306e\u5236\u5fa1\u300d<br \/>\n\uff08\u65e5\u672c\u751f\u7269\u7269\u7406\u5b66\u4f1a\u5317\u6d77\u9053\u652f\u90e8\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c44\u56de\uff08\u5e73\u621026\u5e747\u670828\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Andrey Lyalin<\/strong> \uff08\u4eac\u90fd\u5927\u5b66\u89e6\u5a92\u96fb\u6c60\u5143\u7d20\u6226\u7565\u30e6\u30cb\u30c3\u30c8\u3000\u7279\u5b9a\u52a9\u6559\uff09<br \/>\nNanocatalysis<\/p>\n<br \/>\n<h2>\u7b2c45\u56de\uff08\u5e73\u621026\u5e7410\u670816\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5ca9\u4f50 \u8c6a \u52a9\u6559<\/strong> \uff08\u5317\u6d77\u9053\u5927\u5b66 \u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662 \u5316\u5b66\u90e8\u9580\uff09<br \/>\n\u300c1nm\u30b9\u30b1\u30fc\u30eb\u306e\u30ca\u30ce\u7269\u8cea\u3068\u5149\u5b66\u300d<\/p>\n<br \/>\n<h2>\u7b2c46\u56de\uff08\u5e73\u621027\u5e742\u670810\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Tatiana Domratcheva<\/strong> (Max-Planck Institute for Medical Research, Germany)<br \/>\nComputational studies of photosensitive flavoproteins: from spectroscopy to understanding functional mechanisms<br \/>\n\uff08\u7b2c356\u56de\u89e6\u5a92\u5316\u5b66\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c47\u56de\uff08\u5e73\u621027\u5e744\u67083\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Chantal Daniel<\/strong> (Laboratoire de Chimie Quantique CNRS, France)<br \/>\nPhotophysics of 2nd and 3rd -row Transition Metal Complexes: Quantum Chemistry and Quantum Dynamics<\/p>\n<br \/>\n<h2>\u7b2c48\u56de\uff08\u5e73\u621027\u5e744\u670822\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u79cb\u8449 \u6b23\u54c9 \u5148\u751f<\/strong> \uff08\u5e83\u5cf6\u5927\u5b66\u540d\u8a89\u6559\u6388\u3001\u65e9\u7a32\u7530\u5927\u5b66\u7406\u5de5\u5b66\u7814\u7a76\u6240\u62db\u8058\u7814\u7a76\u54e1\uff09<br \/>\n\u300c\u30d8\u30c6\u30ed\u74b0\u304b\u3089\u6709\u6a5f\u8d85\u539f\u5b50\u4fa1\u5316\u5408\u7269\u3078 \u2015\u559c\u5bff\u3092\u8d8a\u3048\u3066\u2015\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c49\u56de\uff08\u5e73\u621027\u5e744\u670824\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5e02\u91ce \u667a\u4e5f \u535a\u58eb<\/strong> \uff08\u5317\u6d77\u9053\u5927\u5b66\u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662\u5316\u5b66\u90e8\u9580 CREST\u535a\u58eb\u7814\u7a76\u54e1\uff09<br \/>\nTheoretical Study on Catalytic Reaction Mechanism of Oxygen-Evolving Complex<\/p>\n<br \/>\n<h2>\u7b2c50\u56de\uff08\u5e73\u621027\u5e745\u670815\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5c71\ufa11 \u99a8 \u535a\u58eb<\/strong> \uff08\u5317\u6d77\u9053\u5927\u5b66\u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662\u5316\u5b66\u90e8\u9580 CREST\u535a\u58eb\u7814\u7a76\u54e1\uff09<br \/>\nTheory of the Rearrangement and Fragmentation Dynamics of Nanocarbons<\/p>\n<br \/>\n<h2>\u7b2c51\u56de\uff08\u5e73\u621027\u5e745\u670827\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Notker R\u00f6sch<\/strong> (Institute of High Performance Computing, Agency for Science, Singapore)<br \/>\nBiomass transformations over transition metals-Conquering complex reaction networks with DFT<br \/>\n\uff08\u7b2c364\u56de\u89e6\u5a92\u5316\u5b66\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c52\u56de\uff08\u5e73\u621027\u5e747\u67082\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u6589\u7530 \u8b19\u4e00\u90ce \u7279\u4efb\u52a9\u6559<\/strong> \uff08\u5317\u6d77\u9053\u5927\u5b66\u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662\u5316\u5b66\u90e8\u9580\uff09<br \/>\n\u300cAI-MCE\u6cd5\u306e\u958b\u767a\u3068\u52b1\u8d77\u72b6\u614b\u5316\u5b66\u52d5\u529b\u5b66\u306e\u7406\u8ad6\u7684\u7814\u7a76\u300d<\/p>\n<br \/>\n<h2>\u7b2c53\u56de\uff08\u5e73\u621027\u5e747\u670815\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u672c\u7530 \u5b8f\u660e \u7279\u4efb\u51c6\u6559\u6388<\/strong> \uff08\u4e5d\u5dde\u5927\u5b66\u60c5\u5831\u57fa\u76e4\u7814\u7a76\u958b\u767a\u30bb\u30f3\u30bf\u30fc\uff09<br \/>\n\u300c\u30b9\u30af\u30ea\u30d7\u30c8\u8a00\u8a9e\u3092\u5229\u7528\u3057\u305f\u96fb\u5b50\u69cb\u9020\u8a08\u7b97\u30d7\u30ed\u30c8\u30bf\u30a4\u30d4\u30f3\u30b0\u74b0\u5883\u306e\u958b\u767a\u300d<\/p>\n<br \/>\n<h2>\u7b2c54\u56de\uff08\u5e73\u621027\u5e747\u670816\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Andreas Heyden<\/strong> (University of South Carolina)<br \/>\nUnderstanding and Designing Heterogeneous Catalysts from First Principles<br \/>\n\uff08\u7b2c368\u56de\u89e6\u5a92\u5316\u5b66\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c55\u56de\uff08\u5e73\u621027\u5e748\u670810\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u4f50\u85e4\u3000\u771f \u535a\u58eb<\/strong> \uff08\u7acb\u6559\u5927\u5b66\u7406\u5b66\u90e8\u5316\u5b66\u79d1\u3000PD\uff09<br \/>\n\u300c\u57fa\u790e\u6709\u6a5f\u53cd\u5fdc\u306b\u304a\u3051\u308b\u52d5\u529b\u5b66\u7684\u52b9\u679c\uff1a\u52d5\u529b\u5b66\u7684\u7d4c\u8def\u5206\u5c90\u73fe\u8c61\u300d<\/p>\n<br \/>\n<h2>\u7b2c56\u56de\uff08\u5e73\u621027\u5e7410\u670823\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u4e2d\u5d8b \u6d69\u4e4b \u535a\u58eb<\/strong> \uff08\u91cf\u5b50\u5316\u5b66\u7814\u7a76\u5354\u4f1a\u7814\u7a76\u6240\uff09<br \/>\n\u300c\u661f\u9593\u5206\u5b50\u306e\u30b7\u30e5\u30ec\u30fc\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u306e\u8d85\u7cbe\u5bc6\u89e3\u306e\u8a08\u7b97\u300d<\/p>\n<br \/>\n<h2>\u7b2c57\u56de\uff08\u5e73\u621027\u5e7410\u670828\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Odile Eisenstein<\/strong> (Institut Charles Gerhardt Montpellier, Universite Montpellier 2, France)<br \/>\nComputational Chemistry from Reactivity to NMR Calculations: the Case of Schrock Olefin Metathesis<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c58\u56de\uff08\u5e73\u621027\u5e7411\u670813\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Lionel Perrin<\/strong> (Claude Bernard University Lyon 1, France)<br \/>\nMechanism Exploration in metal assisted reactions<\/p>\n<br \/>\n<h2>\u7b2c59\u56de\uff08\u5e73\u621027\u5e7412\u67087\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Marek Wojcik<\/strong> (Jagiellonian University, Poland)<br \/>\nVibrational Spectroscopy of Hydrogen-Bonded Complexes, Liquids and Solids<br \/>\n\uff08\u7b2c378\u56de\u89e6\u5a92\u79d1\u5b66\u7814\u7a76\u6240\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c60\u56de\uff08\u5e73\u621028\u5e741\u670814\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u4e2d\u91ce \u9686\u5fd7 \u535a\u58eb<\/strong> \uff08\u4e09\u4e95\u5316\u5b66(\u682a) \u5148\u7aef\u89e3\u6790\u7814\u7a76\u6240 \u4e3b\u5e2d\u7814\u7a76\u54e1\uff09<br \/>\n\u300c\u4e09\u4e95\u5316\u5b66\u306b\u304a\u3051\u308b\u8a08\u7b97\u5316\u5b66\u306e\u6d3b\u7528\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c61\u56de\uff08\u5e73\u621028\u5e741\u670821\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u516b\u6728 \u6e05 \u535a\u58eb<\/strong> (\u7406\u5316\u5b66\u7814\u7a76\u6240 \u5c02\u4efb\u7814\u7a76\u54e1)<br \/>\n\u300c\u751f\u4f53\u5206\u5b50\u7cfb\u306b\u5bfe\u3059\u308b\u91cf\u5b50\u5316\u5b66\u7684\u30a2\u30d7\u30ed\u30fc\u30c1\u306e\u65b0\u5c55\u958b\u300d<\/p>\n<br \/>\n<h2>\u7b2c62\u56de\uff08\u5e73\u621028\u5e743\u670822\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u77f3\u6751 \u548c\u4e5f \u535a\u58eb<\/strong> (\u5206\u5b50\u79d1\u5b66\u7814\u7a76\u6240 \u7279\u4efb\u7814\u7a76\u54e1)<br \/>\n\u300c\u5927\u898f\u6a21\u4e26\u5217\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u30d7\u30ed\u30b0\u30e9\u30e0SMASH\u300d<\/p>\n<br \/>\n<h2>\u7b2c63\u56de\uff08\u5e73\u621028\u5e744\u67085\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Jen\u2010Shiang K. Yu<\/strong> (National Chiao Tung University, Taiwan)<br \/>\nThe Electronic Structure of Open\u2010Shell Tetrahedral {Fe(NO)2}9 Dinitrosyliron Complexes<br \/>\n\uff08\u7b2c386\u56de\u89e6\u5a92\u79d1\u5b66\u7814\u7a76\u6240\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c64\u56de\uff08\u5e73\u621028\u5e744\u670814\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5bae\u4e0b \u54f2 \u535a\u58eb<\/strong> (JST \u7814\u7a76\u958b\u767a\u6226\u7565\u30bb\u30f3\u30bf\u30fc\u3000\u30d5\u30a7\u30ed\u30fc)<br \/>\n\u300c\u79d1\u5b66\u6280\u8853\u632f\u8208\u6a5f\u69cb\uff08JST\uff09\u3063\u3066\u3069\u3093\u306a\u7d44\u7e54\uff1f\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c65\u56de\uff08\u5e73\u621028\u5e744\u670815\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u6c38\u5e61 \u88d5 \u535a\u58eb<\/strong> (\u5317\u6d77\u9053\u5927\u5b66\u5927\u5b66\u9662\u60c5\u5831\u79d1\u5b66\u7814\u7a76\u79d1\u3000\u535a\u58eb\u7814\u7a76\u54e1)<br \/>\n\u300c\u901f\u5ea6\u8ad6\u3068\u53e4\u5178\u8ad6\u304b\u3089\u306e\u9077\u79fb\u72b6\u614b\u7406\u8ad6\u306e\u5b9f\u614b\u89e3\u660e\u306b\u5411\u3051\u3066\u300d<\/p>\n<br \/>\n<h2>\u7b2c66\u56de\uff08\u5e73\u621028\u5e745\u670830\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u9577\u5ca1 \u4fee\u5e73 \u535a\u58eb<\/strong> (Johnson Matthey Japan, Principal Scientist)<br \/>\n\u300cHistory and Technologies of Autocatalysts\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c67\u56de\uff08\u5e73\u621028\u5e746\u670820\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Jamal G. Musaev<\/strong> (Cherry L. Emerson Center for Scientific Computation and Emory University, USA)<br \/>\nMulti-Disciplinary and Collaborative Efforts toward the Novel Catalysis and Technology Design: Insight into the C-H Functionalization and Water Oxidation Jungles<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c68\u56de\uff08\u5e73\u621028\u5e746\u670827\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Chaoyuan Zhu<\/strong> (National Chiao-Tung University, Taiwan)<br \/>\nGlobal-switching trajectory surface-hopping algorithm for conical intersections and intersystem crossings with its application to photochemistry<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c69\u56de\uff08\u5e73\u621028\u5e747\u670821\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5927\u91ce \u516c\u4e00 \u5148\u751f<\/strong> (\u91cf\u5b50\u5316\u5b66\u63a2\u7d22\u7814\u7a76\u6240 \u6240\u9577)<br \/>\n\u300c\u65b0\u3057\u3044\u70ad\u7d20\u5358\u4f53\u30ca\u30ce\u69cb\u9020\u306e\u53ef\u80fd\u6027\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\u3001\u7269\u7406\u5316\u5b66\u7279\u5225\u8b1b\u7fa92016\uff09<\/p>\n<br \/>\n<h2>\u7b2c70\u56de\uff08\u5e73\u621028\u5e748\u670826\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Raman Kumar Singh<\/strong> (\u5317\u6d77\u9053\u5927\u5b66\u5927\u5b66\u9662\u7406\u5b66\u7814\u7a76\u9662\u5316\u5b66\u90e8\u9580 \u535a\u58eb\u7814\u7a76\u54e1)<br \/>\nDevelopment of orbital energy-based reaction analysis theory<\/p>\n<br \/>\n<h2>\u7b2c71\u56de\uff08\u5e73\u621028\u5e7410\u670818\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5e73\u91ce \u6052\u592b \u5148\u751f<\/strong> (\u304a\u8336\u306e\u6c34\u5973\u5b50\u5927\u5b66 \u540d\u8a89\u6559\u6388)<br \/>\n\u300c\u65b0\u9818\u57df \u8a08\u7b97\u5206\u5b50\u5206\u5149\u5b66\u306e\u5c55\u958b\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c72\u56de\uff08\u5e73\u621028\u5e7411\u67089\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Srihari Keshavamurthy<\/strong> (Indian Institute of Technology Kanpur, India)<br \/>\nIntramolecular Vibrational Energy Redistribution: Analogies, Insights and Challenges<br \/>\n\uff08\u96fb\u5b50\u79d1\u5b66\u7814\u7a76\u6240\u5b66\u8853\u8b1b\u6f14\u4f1a\u517c\u793e\u4f1a\u5275\u9020\u6570\u5b66\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c73\u56de\uff08\u5e73\u621028\u5e7411\u670817\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Etienne Gindensperger<\/strong> (Strasbourg University &#8211; CNRS, France)<br \/>\nTheoretical insights into photoisomerization, chirality and molecular motors<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c74\u56de\uff08\u5e73\u621029\u5e743\u67081\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Associate Prof. Rajeev Prabhakar<\/strong> (Department of Chemistry, University of Miami, USA)<br \/>\nDevelopment of Catalysts, Drugs and Biomaterials: Insights from Theoretical Studies<br \/>\n\uff08\u7b2c399\u56de\u89e6\u5a92\u79d1\u5b66\u7814\u7a76\u6240\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c75\u56de\uff08\u5e73\u621029\u5e745\u670822\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Tong Shengfu<\/strong> (School of Chemistry, Sun Yat-Sen University, China)<br \/>\nThe rational synthesis and applications of transition metal oxides in energy storage systems<\/p>\n<br \/>\n<h2>\u7b2c76\u56de\uff08\u5e73\u621029\u5e745\u670824\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Marek W\u00f3jcik<\/strong> (Jagiellonian University, Poland)<br \/>\nVibrational Spectroscopy of Hydrogen-Bonded Complexes, Liquids and Solids<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c77\u56de\uff08\u5e73\u621029\u5e747\u67084\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5fd7\u8cc0 \u57fa\u4e4b \u535a\u58eb<\/strong> (\u65e5\u672c\u539f\u5b50\u529b\u7814\u7a76\u958b\u767a\u6a5f\u69cb \u7814\u7a76\u4e3b\u5e79)<br \/>\nQM\/MM molecular dynamics of open boundary systems<\/p>\n<br \/>\n<h2>\u7b2c78\u56de\uff08\u5e73\u621029\u5e747\u670820\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Sergey Levchenko <\/strong> (Group leader, Fritz-Haber Institute of Max Planck Society, Germany)<br \/>\nActivation of CO<sub>2<\/sub> at complex oxide surfaces<\/p>\n<br \/>\n<h2>\u7b2c79\u56de\uff08\u5e73\u621029\u5e748\u670821\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u8896\u5c71 \u6176\u592a\u90ce \u535a\u58eb<\/strong> (NIMS, MaDIS\/JST\u3055\u304d\u304c\u3051\/\u4eac\u90fd\u5927\u5b66ESICB)<br \/>\n\u300c\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u57fa\u3065\u304f\u30ea\u30c1\u30a6\u30e0\u30a4\u30aa\u30f3\u96fb\u6c60\u306e\u96fb\u89e3\u6db2\u6750\u6599\u63a2\u7d22\u300d<\/p>\n<br \/>\n<h2>\u7b2c80\u56de\uff08\u5e73\u621029\u5e749\u670822\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u672c\u7530 \u5b8f\u660e \u7279\u4efb\u51c6\u6559\u6388<\/strong> \uff08\u4e5d\u5dde\u5927\u5b66\u5927\u5b66\u9662\u30b7\u30b9\u30c6\u30e0\u60c5\u5831\u79d1\u5b66\u7814\u7a76\u9662\uff09<br \/>\n\u300cEMOL\uff1a\u96fb\u5b50\u69cb\u9020\u8a08\u7b97\u30d7\u30ed\u30c8\u30bf\u30a4\u30d4\u30f3\u30b0\u652f\u63f4\u74b0\u5883\u306e\u958b\u767a\u300d<\/p>\n<br \/>\n<h2>\u7b2c81\u56de\uff08\u5e73\u621029\u5e749\u670825\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Supawadee Namuangruk<\/strong> (Group Leader, Nanoscale Simulation Laboratory, National Nanotechnology Center (NANOTEC), Thailand)<br \/>\nDFT investigation of H<sub>2<\/sub>S desulfurization on anatase TiO<sub>2<\/sub>(001) surface <br \/>\n\uff08\u7b2c405\u56de\u89e6\u5a92\u79d1\u5b66\u7814\u7a76\u6240\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c82\u56de\uff08\u5e73\u621030\u5e743\u67082\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Yuki Nagata<\/strong> (Group Leader, Max Planck Institute for Polymer Research, Mainz, Germany)<br \/>\nMolecular modeling of ice-air and water-air interfaces: input from theoretical sum-frequency generation spectroscopy <br \/>\n\uff08\u7b2c410\u56de\u89e6\u5a92\u79d1\u5b66\u7814\u7a76\u6240\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c83\u56de\uff08\u5e73\u621030\u5e746\u670814\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Associate Prof. Nisanth N. Nair<\/strong> (Indian Institute of Technology, Kanpur, India)<br \/>\nExploring High Dimensional Free Energy Landscapes of Chemical Reactions: New Approaches and Applications<br \/>\n\uff08\u7b2c415\u56de\u89e6\u5a92\u79d1\u5b66\u7814\u7a76\u6240\u30b3\u30ed\u30ad\u30a6\u30e0\uff09<\/p>\n<br \/>\n<h2>\u7b2c84\u56de\uff08\u5e73\u621030\u5e747\u670811\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u65e5\u9688 \u8061\u58eb \u52a9\u6559<\/strong> \uff08\u718a\u672c\u5927\u5b66\u5927\u5b66\u9662\u5148\u7aef\u79d1\u5b66\u7814\u7a76\u90e8\uff09<br \/>\n\u300c\u30a2\u30f3\u30e2\u30cb\u30a2\u71c3\u713c\u89e6\u5a92\u306a\u3089\u3073\u306b\u56fa\u4f53\u6750\u6599\u5206\u6790\u6280\u8853\u306e\u958b\u767a\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c85\u56de\uff08\u5e73\u621030\u5e747\u670813\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u698a \u8302\u597d \u5148\u751f<\/strong> \uff08\u4eac\u90fd\u5927\u5b66\u7279\u4efb\u6559\u6388\u30fb\u798f\u4e95\u8b19\u4e00\u8a18\u5ff5\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\u30b7\u30cb\u30a2\u30ea\u30b5\u30fc\u30c1\u30d5\u30a7\u30ed\u30fc\uff09<br \/>\n\u300c\uff44\u96fb\u5b50\u8907\u5408\u7cfb\u306e\u7406\u8ad6\u5316\u5b66\u30fb\u8a08\u7b97\u5316\u5b66\uff1a\u8907\u96d1\u3067\u67d4\u8edf\u306a\u96fb\u5b50\u72b6\u614b\u3068\u69cb\u9020\u3001\u7269\u6027\u3001\u53cd\u5fdc\u306b\u9b45\u305b\u3089\u308c\u3066\u300d<\/p>\n<br \/>\n<h2>\u7b2c86\u56de\uff08\u5e73\u621030\u5e747\u670830\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Shiwei Yan<\/strong> (Department of Physics, Beijing Normal University, China)<br \/>\nStatistical Physics and Quantitative Descriptions of Biological Systems<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c87\u56de\uff08\u5e73\u621030\u5e7410\u670822\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Associate Prof. Le Yu<\/strong> (College of Chemistry &#038; Materials Science, Northwest University, China)<br \/>\nTrajectory based on-the-fly nonadiabatic ab initio molecular dynamics with Zhu-Nakamura surface hopping algorithms<\/p>\n<br \/>\n<h2>\u7b2c88\u56de\uff08\u5e73\u621030\u5e7411\u670813\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5e73\u91ce \u6052\u592b \u5148\u751f<\/strong> (\u304a\u8336\u306e\u6c34\u5973\u5b50\u5927\u5b66 \u540d\u8a89\u6559\u6388)<br \/>\n\u300c\u8a08\u7b97\u5206\u5b50\u5206\u5149\u5b66\uff1a\u305d\u306e\u5f8c\u306e\u5c55\u958b\u300d<\/p>\n<br \/>\n<h2>\u7b2c89\u56de\uff08\u5e73\u621031\u5e742\u670822\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5c71\u672c \u5178\u53f2 \u51c6\u6559\u6388<\/strong> (\u5343\u8449\u5de5\u696d\u5927\u5b66\u5de5\u5b66\u90e8\u5fdc\u7528\u5316\u5b66\u79d1)<br \/>\n\u300c\u51dd\u96c6\u8a98\u8d77\u767a\u5149\u306b\u3064\u3044\u3066\u306e\u7406\u8ad6\u7684\u7814\u7a76\u300d<\/p>\n<br \/>\n<h2>\u7b2c90\u56de\uff08\u5e73\u621031\u5e744\u670815\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u2f24\u2f95 \u512a\u4ecb \u52a9\u6559<\/strong> (\u6771\u5317\u2f24\u5b66\u2fa6\u5c5e\u6750\u6599\u7814\u7a76\u6240)<br \/>\n\u300c\u8d85\u4f4e\u6469\u64e6\u3092\u767a\u73fe\u3059\u308b\u30b1\u30a4\u7d20\u7cfb\u30bb\u30e9\u30df\u30c3\u30af\u30b9\u6469\u64e6\u754c\u9762\u3067\u306e\u5316\u5b66\u53cd\u5fdc\u30c0\u30a4\u30ca\u30df\u30af\u30b9\uff1a\u5206\u5b50\u52d5\u529b\u5b66\u6cd5\u3068\u5b9f\u9a13\u306e\u9023\u643a\u306b\u3088\u308b\u8d85\u4f4e\u6469\u64e6\u30e1\u30ab\u30cb\u30ba\u30e0\u306e\u89e3\u660e\u300d<\/p>\n<br \/>\n<h2>\u7b2c91\u56de\uff08\u4ee4\u548c\u5143\u5e745\u670821\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Marek W\u00f3jcik<\/strong> (Jagiellonian University, Poland)<br \/>\nQuantum mechanical and molecular dynamics studies of vibrational spectra of hydrogen-bonded systems<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c92\u56de\uff08\u4ee4\u548c\u5143\u5e746\u67083\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Srihari Keshavamurthy<\/strong> (Indian Institute of Technology Kanpur, India)<br \/>\nThe many faces of dynamical tunneling<\/p>\n<br \/>\n<h2>\u7b2c93\u56de\uff08\u4ee4\u548c\u5143\u5e746\u670824\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Srihari Keshavamurthy<\/strong> (Indian Institute of Technology Kanpur, India)<br \/>\nRevisiting the paradigm of transition states and reaction mechanisms<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\u3001Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\u3001HSI\u30b5\u30c6\u30e9\u30a4\u30c8\uff09<\/p>\n<br \/>\n<h2>\u7b2c94\u56de\uff08\u4ee4\u548c\u5143\u5e749\u67084\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5c0f\u539f \u771f\u53f8 \u535a\u58eb<\/strong> (\u7269\u8cea\u30fb\u6750\u6599\u7814\u7a76\u6a5f\u69cb \u91cf\u5b50\u30d3\u30fc\u30e0\u30e6\u30cb\u30c3\u30c8 \u4e3b\u5e79\u7814\u7a76\u54e1)<br \/>\n\u300c\u975e\u6676\u8cea\u7269\u8cea\u306e\u91cf\u5b50\u30d3\u30fc\u30e0\u5b9f\u9a13\u3068\u69cb\u9020\u30e2\u30c7\u30ea\u30f3\u30b0\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c95\u56de\uff08\u4ee4\u548c\u5143\u5e7410\u670817\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u7530\u4e2d \u5b97 \u7814\u7a76\u9662\u51c6\u6559\u6388<\/strong> (\u65e9\u7a32\u7530\u5927\u5b66 \u30b0\u30ea\u30fc\u30f3\u30fb\u30b3\u30f3\u30d4\u30e5\u30fc\u30c6\u30a3\u30f3\u30b0\u30fb\u30b7\u30b9\u30c6\u30e0\u7814\u7a76\u6a5f\u69cb \u4e3b\u4efb\u7814\u7a76\u54e1)<br \/>\n\u300c\u91cf\u5b50\u30a2\u30cb\u30fc\u30ea\u30f3\u30b0\u306e\u539f\u7406\u3068\u7814\u7a76\u958b\u767a\u306e\u73fe\u72b6\u300d<br \/>\n\uff08ICReDD\u30b5\u30ed\u30f3\uff09<\/p>\n<br \/>\n<h2>\u7b2c96\u56de\uff08\u4ee4\u548c\u5143\u5e7411\u670815\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u4f43 \u9054\u54c9 \u6559\u6388<\/strong> (\u6771\u4eac\u5927\u5b66 \u7406\u5b66\u7cfb\u7814\u7a76\u79d1\u5316\u5b66\u5c02\u653b)<br \/>\n\u300c\u6709\u6a5f\u4fee\u98fe\u91d1\u5c5e\u8d85\u539f\u5b50 \uff0d\u6700\u8fd1\u306e\u9032\u5c55\u304b\u3089\uff0d\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c97\u56de\uff08\u4ee4\u548c\u5143\u5e7412\u670820\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5409\u5ddd \u6b66\u53f8 \u7814\u7a76\u9662\u8b1b\u5e2b<\/strong> (\u65e9\u7a32\u7530\u5927\u5b66 \u4e2d\u4e95\u7814\u7a76\u5ba4)<br \/>\n\u300c\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u306b\u57fa\u3065\u304f\u5206\u5272\u7d71\u6cbb\u578b\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306e\u78ba\u7acb\u306b\u5411\u3051\u3066\u300d<br \/>\n\uff08ICReDD\u30b5\u30ed\u30f3\uff09<\/p>\n<br \/>\n<h2>\u7b2c98\u56de\uff08\u4ee4\u548c2\u5e741\u67087\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5fd7\u8cc0 \u5143\u7d00 \u51c6\u6559\u6388<\/strong> (\u5c90\u961c\u5927\u5b66\u5de5\u5b66\u90e8)<br \/>\n\u300c\u7d71\u8a08\u7684\u6a5f\u68b0\u5b66\u7fd2\u306b\u57fa\u3065\u304f\u30b9\u30da\u30af\u30c8\u30eb\u30a4\u30e1\u30fc\u30b8\u89e3\u6790\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c99\u56de\uff08\u4ee4\u548c2\u5e742\u670813\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u7530\u6751 \u4eae \u535a\u58eb<\/strong> (\u7269\u8cea\u30fb\u6750\u6599\u7814\u7a76\u6a5f\u69cb \u4e3b\u4efb\u7814\u7a76\u54e1\u3001\u6771\u4eac\u5927\u5b66\u5927\u5b66\u9662\u65b0\u9818\u57df\u5275\u6210\u79d1\u5b66\u7814\u7a76\u79d1 \u8b1b\u5e2b)<br \/>\n\u300c\u91cf\u5b50\u30a2\u30cb\u30fc\u30ea\u30f3\u30b0\u3092\u7528\u3044\u305f\u30d6\u30e9\u30c3\u30af\u30dc\u30c3\u30af\u30b9\u6700\u9069\u5316 \u624b\u6cd5\u3068\u6750\u6599\u79d1\u5b66\u3078\u306e\u5fdc\u7528\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\u3001\u5316\u5b66\u53cd\u5fdc\u5275\u6210\u7814\u7a76\u62e0\u70b9(ICReDD)\u5171\u50ac\uff09<\/p>\n<br \/>\n<h2>\u7b2c100\u56de\uff08\u4ee4\u548c2\u5e7410\u670827\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u67f3\u4e95 \u6bc5 \u6559\u6388<\/strong> (\u540d\u53e4\u5c4b\u5927\u5b66\u30c8\u30e9\u30f3\u30b9\u30d5\u30a9\u30fc\u30de\u30c6\u30a3\u30d6\u751f\u547d\u5206\u5b50\u7814\u7a76\u6240 (WPI-ITbM))<br \/>\n\u300cQuantum many-electron theory and other new type approaches for quantum chemical calculations\u300d<br \/>\n\uff08\u5316\u5b66\u90e8\u9580\u7279\u5225\u8b1b\u6f14\u4f1a\uff09<\/p>\n<br \/>\n<h2>\u7b2c101\u56de\uff08\u4ee4\u548c2\u5e7412\u67084\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5de5\u85e4 \u548c\u6075 \u51c6\u6559\u6388<\/strong> (\u304a\u8336\u306e\u6c34\u5973\u5b50\u5927\u5b66\u57fa\u5e79\u7814\u7a76\u9662\u81ea\u7136\u79d1\u5b66\u7cfb\uff0f\u6771\u5317\u5927\u5b66\u5927\u5b66\u9662\u60c5\u5831\u79d1\u5b66\u7814\u7a76\u79d1\uff09<br \/>\n\u300c\u30a4\u30b8\u30f3\u30b0\u30de\u30b7\u30f3\u3092\u5229\u7528\u3057\u305f\u7814\u7a76\u8ab2\u984c\u306e\u958b\u62d3\u300d<br \/>\n\uff08Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c102\u56de\uff08\u4ee4\u548c3\u5e746\u670816\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u9685\u7530 \u771f\u4eba \u535a\u58eb<\/strong> (\u7406\u5316\u5b66\u7814\u7a76\u6240\u9769\u65b0\u77e5\u80fd\u7d71\u5408\u7814\u7a76\u30bb\u30f3\u30bf\u30fc \u7814\u7a76\u54e1\uff09<br \/>\n\u300cMolecular Design and Quantum Chemistry\u300d<br \/>\n<\/p>\n<br \/>\n<h2>\u7b2c103\u56de\uff08\u4ee4\u548c3\u5e747\u670815\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u4e09\u8f2a \u90a6\u4e4b \u7279\u4efb\u52a9\u6559<\/strong> (\u5206\u5b50\u79d1\u5b66\u7814\u7a76\u6240\u5357\u8c37\u30b0\u30eb\u30fc\u30d7\uff09<br \/>\n\u300c\u5206\u5b50\u30ca\u30ce\u5149\u5b66\u306e\u7406\u8ad6\u7814\u7a76\u300d<br \/>\n<\/p>\n<br \/>\n<h2>\u7b2c104\u56de\uff08\u4ee4\u548c3\u5e7411\u670826\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5c0f\u95a2 \u53f2\u6717 \u6559\u6388<\/strong> (\u5927\u962a\u5e9c\u7acb\u5927\u5b66\u5927\u5b66\u9662\u7406\u5b66\u7cfb\u7814\u7a76\u79d1\uff09<br \/>\n\u300c\u30b9\u30d4\u30f3\u8ecc\u9053\u76f8\u4e92\u4f5c\u7528\u306e\u8a08\u7b97\u3068\u305d\u306e\u5fdc\u7528\uff1a\u6709\u6a5fEL\u306b\u7528\u3044\u3089\u308c\u308b\u30a4\u30ea\u30b8\u30a6\u30e0\u932f\u4f53\u306b\u304a\u3051\u308b\u767a\u5149\u904e\u7a0b\u300d<br \/>\n\uff08\u7269\u7406\u5316\u5b66\u7279\u5225\u8b1b\u7fa92021\u3001Ambitious \u7269\u8cea\u79d1\u5b66\u30bb\u30df\u30ca\u30fc\uff09<\/p>\n<br \/>\n<h2>\u7b2c105\u56de\uff08\u4ee4\u548c3\u5e7411\u670829\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5ddd\u5d0e \u611b\u7406 \u535a\u58eb<\/strong> (\u30e9\u30a4\u30b9\u5927\u5b66Scuseria\u7814\u7a76\u5ba4\u30fb\u5143\u535a\u58eb\u7814\u7a76\u54e1\uff09<br \/>\n\u300c\u5c11\u6570\u591a\u4f53\u5f37\u76f8\u95a2\u7cfb\u306b\u5bfe\u3059\u308b\u30b8\u30a7\u30df\u30ca\u30eb\u7406\u8ad6\u300d<br \/>\n<\/p>\n<br \/>\n<h2>\u7b2c106\u56de\uff08\u4ee4\u548c4\u5e7410\u670819\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u4e2d\u4e95 \u6d69\u5df3 \u6559\u6388<\/strong> (\u65e9\u7a32\u7530\u5927\u5b66 \u5148\u9032\u7406\u5de5\u5b66\u90e8 \u5316\u5b66\u30fb\u751f\u547d\u5316\u5b66\u79d1\uff09<br \/>\n\u300c\u91cf\u5b50\u5316\u5b66\u3068\u71b1\u529b\u5b66\u30fb\u901f\u5ea6\u8ad6\u30fb\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u3000\uff5e\u771f\u306e\u7406\u8ad6\u5316\u5b66\u3068\u5b9f\u9a13\u5316\u5b66\u306e\u5171\u540c\u7814\u7a76\u306e\u305f\u3081\u306b\uff5e\u300d<br \/>\n\uff08FCC\u8b1b\u6f14\u4f1a\u3001\u5171\u50ac\uff1aALP, SMatS\uff09<\/p>\n<br \/>\n<h2>\u7b2c107\u56de\uff08\u4ee4\u548c5\u5e743\u670810\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>\u5929\u80fd \u7cbe\u4e00\u90ce \u6559\u6388<\/strong> (\u795e\u6238\u5927\u5b66 \u5927\u5b66\u9662\u30b7\u30b9\u30c6\u30e0\u60c5\u5831\u5b66\u7814\u7a76\u79d1\uff09<br \/>\n\u300c\u9078\u629e\u7684\u7d50\u5408\u30af\u30e9\u30b9\u30bf\u30fc\u6cd5\u306e\u958b\u767a\u300d<br \/>\n<\/p>\n<br \/>\n<h2>\u7b2c108\u56de\uff08\u4ee4\u548c5\u5e743\u670829\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dmitri Fedorov \u535a\u58eb<\/strong> (\u7523\u7dcf\u7814\u3001\u4e3b\u4efb\u7814\u7a76\u54e1\uff09<br \/>\n\u300cBinding and catalysis in solution and at crystal surfaces analyzed with the fragment molecular orbital method\u300d<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c109\u56de\uff08\u4ee4\u548c5\u5e747\u67083\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Marek W\u00f3jcik<\/strong> (Jagiellonian University, Poland)<br \/>\nTheoretical Spectroscopic Studies of Hydrogen Bonding<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c110\u56de\uff08\u4ee4\u548c6\u5e742\u670819\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Ram Kinkar Roy<\/strong> (Birla Institute of Technology and Science, India)<br \/>\nGeneration of Reliable Photophysical Properties by Optimally-Tuned Range-Separated Hybrid Functional in TD-DFT<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c111\u56de\uff08\u4ee4\u548c6\u5e746\u670826\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Olga L. Malkina<\/strong> (Institute of Inorganic Chemistry, Slovak Academy of Sciences, Slovakia)<br \/>\nA mystery of a through-space indirect NMR spin-spin coupling between two hydrogen atoms<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c112\u56de\uff08\u4ee4\u548c6\u5e746\u670826\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Dr. Vladimir G. Malkin<\/strong> (Institute of Inorganic Chemistry, Slovak Academy of Sciences, Slovakia)<br \/>\nTransmission of spin-polarization by \u03c0-orbitals<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c113\u56de\uff08\u4ee4\u548c6\u5e747\u670816\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Djamaladdin G. Musaev<\/strong> (Cherry L. Emerson Center for Scientific Computation and Emory University, USA)<br \/>\nInsights into the Microenvironment of Catalysis: Water Oxidation and Selective C\u2013H bond Functionalization<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c114\u56de\uff08\u4ee4\u548c6\u5e7411\u670821,25\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. David Wales<\/strong> (University of Cambridge, UK)<br \/>\nEnergy landscapes: from molecules and nanodevices to machine learning<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c115\u56de\uff08\u4ee4\u548c7\u5e743\u670812\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Vincent Robert<\/strong> (University of Strasbourg, France)<br \/>\nWavefunction for Analysis and Concepts Emergence<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p>\n<br \/>\n<h2>\u7b2c116\u56de\uff08\u4ee4\u548c8\u5e741\u670829\u65e5\uff09<\/h2>\n<p class=\"mab20\"><strong>Prof. Ashwani K. Tiwari<\/strong> (Indian Institute of Science Education and Research Kolkata, India)<br \/>\nDynamics of H2O Dissociation and CO Oxidation on Metal Surfaces<br \/>\n\uff08ICReDD International Seminar Series\uff09<\/p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u7b2c1\u56de\uff08\u5e73\u621017\u5e7411\u670824\u65e5\uff09 \u5ca9\u7530 \u672b\u5ee3 \u6559\u6388\uff08\u5e83\u5cf6\u5927\u5b66\u91cf\u5b50\u751f\u547d\u79d1\u5b66\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\u7814\u7a76\u30bb\u30f3\u30bf\u30fc\uff09 \u300c\u96fb\u5b50\uff0d\u6c34\u7d20\u7d50\u5408:\u4f59\u5270\u96fb\u5b50\u306e\u5b89\u5b9a\u5316\u6a5f\u69cb\u300d \u7b2c2\u56de\uff08\u5e73\u621018\u5e743\u67083\u65e5\uff09 Dr. Chantal Daniel (Labo [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":60,"comment_status":"open","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-36","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/pages\/36","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/comments?post=36"}],"version-history":[{"count":85,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/pages\/36\/revisions"}],"predecessor-version":[{"id":4275,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/pages\/36\/revisions\/4275"}],"wp:attachment":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/wp-json\/wp\/v2\/media?parent=36"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}