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6 results in Authors: Mo Yan

Physical Chemistry

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

268

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Theoretical and Computational Chemistry

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

284

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Biological and Medicinal Chemistry

Overpotential-derived thermogenesis in mitochondrial respiratory chain

Nuning Namari, Mo Yan, Junji Nakamura, Kotaro Takeyasu

Version 2 posted 06 February 2024

164

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Mixed-potential-driven catalysis

Mo Yan, Nuning Namari, Junji Nakamura, Kotaro Takeyasu

Version 2 posted 13 December 2023

277

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Physical Chemistry

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

662

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Chemical Engineering and Industrial Chemistry

Uncertainty-calibrated deep learning for rapid identification of reaction mechanisms

Yan Liu, Yiming Mo, Youwei Cheng

Version 1 posted 08 December 2022

229

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