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Journal of Nanoscience and Nanotechnology|October 26, 2005
Switches from pi- to sigma-bonding complexes controlled by gate voltagesEriko Matsui, Oliver Harnack, Nobuyuki N Matsuzawa, et al.ACS Omega|December 16, 2024
Exploring Molecular Descriptors and Acquisition Functions in Bayesian Optimization for Designing Molecules with Low Hole Reorganization EnergyRinta Kawagoe, Tatsuhito Ando, Nobuyuki N Matsuzawa, et al.Journal of Chemical Information and Modeling|June 4, 2026
Data-Driven Design of Organic Semiconductors Exhibiting Low Reorganization Energy via Hierarchical Variational Autoencoders, Gaussian Mixture Regression, and Bayesian OptimizationYamato Nakanishi, Tatsuhito Ando, Nobuyuki N Matsuzawa, et al.The Journal of Physical Chemistry. A|September 2, 2022
Design of Molecules with Low Hole and Electron Reorganization Energy Using DFT Calculations and Bayesian OptimizationTatsuhito Ando, Naoto Shimizu, Norihisa Yamamoto, et al.The Journal of Physical Chemistry. A|September 17, 2020
Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic MaterialsErin Antono, Nobuyuki N Matsuzawa, Julia Ling, et al.The Journal of Physical Chemistry. A|February 19, 2020
Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing EnvironmentNobuyuki N Matsuzawa, Hideyuki Arai, Masaru Sasago, et al.The Journal of Physical Chemistry. A|August 19, 2022
De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen: Part 2Joshua Staker, Kyle Marshall, Karl Leswing, et al.The Journal of Physical Chemistry. A|August 3, 2021
De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT ScreenGabriel Marques, Karl Leswing, Tim Robertson, et al.Pageof 1