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J

James Stevenson

Schrodinger inc.

H指数:17

被引数:2,359

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An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-Ion Battery Electrolytes in Solution

一种精确的电荷感知机器学习原子间势能，用于溶液中锂离子电池电解质的还原

Journal of Chemical Theory and Computation

IF5.5

2026-02-240

PRE

Insights into electrolyte reactivity at the Li metal surface from density functional theory

从密度泛函理论获得的关于电解质在锂金属表面的反应性的见解

Computational Materials Science

IF3.3

2025-10-220

PRE

High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations

用于液体电解质模拟的高维神经网络潜力

JOURNAL OF PHYSICAL CHEMISTRY B

IF2.9

2022-08-1626

PRE

Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions

闭壳有机分子的可转移神经网络势能表面: 扩展到离子

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-03-1534

PRE

Analysis of Two SusE-Like Enzymes From Bacteroides thetaiotaomicron Reveals a Potential Degradative Capacity for This Protein Family

对拟杆菌的两种SusE样酶的分析揭示了该蛋白质家族的潜在降解能力

FRONTIERS IN MICROBIOLOGY

IF4.5

2021-06-043

OAAI

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-02-15836

OAAI

Uncovering the reaction mechanism initiating the nucleation of lead sulfide quantum dots in a hines synthesis

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2018-01-0115

PREAI

Computational Implementation of Nudged Elastic Band, Rigid Rotation, and Corresponding Force Optimization

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-06-2736

PREAI

Mayer Bond Order as a Metric of Complexation Effectiveness in Lead Halide Perovskite Solutions

CHEMISTRY OF MATERIALS

IF7

2016-12-27101

PREAI

Simple Molecular Reactive Force Field for Metal-Organic Synthesis

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-01-226

PREAI

Membrane alternatives in worlds without oxygen: Creation of an azotosome

SCIENCE ADVANCES

IF12.5

2015-02-0658

OAAI

Pentacene-based nanorods on Au(111) single crystals: Charge transfer, diffusion, and step-edge barriers

IF9

2013-05-0814

PREAI

Structural Insights into the Regulation of Foreign Genes in Salmonella by the Hha/H-NS Complex

JOURNAL OF BIOLOGICAL CHEMISTRY

IF3.9

2013-05-0170

OAAI