Search

6 results in Authors: Mo Yan

Chemical Engineering and Industrial Chemistry

Working Paper

Uncertainty-calibrated deep learning for rapid identification of reaction mechanisms

Yan Liu, Yiming Mo, Youwei Cheng

Version 1 posted 08 December 2022

262

Downloads

Citations

Biological and Medicinal Chemistry

Working Paper

Overpotential-derived thermogenesis in mitochondrial respiratory chain

Nuning Namari, Mo Yan, Junji Nakamura, Kotaro Takeyasu

Version 2 posted 06 February 2024

232

Downloads

Citations

Catalysis

Working Paper

Mixed-potential-driven catalysis

Mo Yan, Nuning Namari, Junji Nakamura, Kotaro Takeyasu

Version 2 posted 13 December 2023

339

Downloads

Physical Chemistry

Working Paper

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei

Version 1 posted 29 July 2020

294

Downloads

Theoretical and Computational Chemistry

Working Paper

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential

Yuanfei Xue, Jia-Ning Wang, Wenxin Hu, Jun Zheng, Yongle Li, Xiaoliang Pan, Yan Mo, Yihan Shao, Lu Wang, Ye Mei

Version 1 posted 02 August 2021

314

Downloads

Physical Chemistry

Working Paper

Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference-Potential. 4. Adaptive QM/MM

Jia-Ning Wang, Wei Liu, Pengfei Li, Yan Mo, Wenxin Hu, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei

Version 3 posted 03 February 2021

702

Downloads

Search

Refine Search

6 results in Mo Yan in Authors: Mo Yan

Uncertainty-calibrated deep learning for rapid identification of reaction mechanisms

Overpotential-derived thermogenesis in mitochondrial respiratory chain

Mixed-potential-driven catalysis

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential

Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference-Potential. 4. Adaptive QM/MM

6 results in Authors: Mo Yan