Nobuyuki N Matsuzawa
7PUBLICATIONS
6CO-AUTHORS
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Publications (7)
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|Dec 16, 2024
Exploring Molecular Descriptors and Acquisition Functions in Bayesian Optimization for Designing Molecules with Low Hole Reorganization Energy.Rinta Kawagoe, Tatsuhito Ando, Nobuyuki N Matsuzawa
|Sep 02, 2022
Design of Molecules with Low Hole and Electron Reorganization Energy Using DFT Calculations and Bayesian Optimization.Tatsuhito Ando, Naoto Shimizu, Norihisa Yamamoto
|Aug 19, 2022
De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen: Part 2.Joshua Staker, Kyle Marshall, Karl Leswing
|Aug 03, 2021
De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen.Gabriel Marques, Karl Leswing, Tim Robertson
|Sep 17, 2020
Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials.Erin Antono, Nobuyuki N Matsuzawa, Julia Ling
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