Research Topics
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Matsuoka, Wataru
Project Assistant Professor
Faculty of Science, Hokkaido University
Keywords
virtual ligand in silico screening virtual ligand-assisted (VLA) screening transition metal catalysis ligand design phosphine ligand quantum chemistry
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Hayashi, Hiroki
Project Assistant Professor
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University
Keywords
reaction development quantum chemical calculation reaction simulation N-heterocycle compound
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Takano, Hideaki
Project Assistant Professor
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University
Keywords
bidentate phosphine ligand quantum chemical calculation ethylene reaction development
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Sakaue, Shinsaku
Project Assistant Professor
Graduate School of Information Science and Technology, the University of Tokyo
Keywords
molecular selection graph neural network submodular function greedy algorithm
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Nakao, Atsuyuki
Doctoral course
Graduate School of Frontier Sciences, The University of Tokyo
Keywords
path finding algorithm machine learning graph neural network quantum chemical calculation