Ryan S. DeFever

University of Notre Dame

12H指数

27论文数

685被引数

收录论文 11

发表时间

Alchemical Free Energy and Hamiltonian Replica Exchange Molecular Dynamics to Compute Hydrofluorocarbon Isotherms in Imidazolium-Based Ionic Liquids 炼化自由能和哈密顿复制品交换分子动力学，以计算咪唑基离子液体中的氢氟烃等温线

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-05-17

PREAI

Wang, Ning; DeFever, Ryan S.; Maginn, Edward J.

Machine Learning Directed Optimization of Classical Molecular Modeling Force Fields

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-08-17

OAAI

Befort, Bridgette J.; DeFever, Ryan S.; Tow, Garrett M.; Dowling, Alexander W.; Maginn, Edward J.

MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software MoSDeF Cassandra: Cassandra Monte Carlo软件的完整Python接口

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2021-04-30

PREAI

DeFever, Ryan S.; Matsumoto, Ray A.; Dowling, Alexander W.; Cummings, Peter T.; Maginn, Edward J.

Open-source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework 化学工程中的开源分子建模软件，专注于分子模拟设计框架

AICHE JOURNAL

IF4

2021-02-03

OAAI

Cummings, Peter T.; McCabe, Clare; Iacovella, Christopher R.; Ledeczi, Akos; Jankowski, Eric; Jayaraman, Arthi; Palmer, Jeremy C.; Maginn, Edward J.; Glotzer, Sharon C.; Anderson, Joshua A.; Ilja Siepmann, J.; Potoff, Jeffrey; Matsumoto, Ray A.; Gilmer, Justin B.; DeFever, Ryan S.; Singh, Ramanish; Crawford, Brad

Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-12-01

OAAI

Wang, Haimeng; DeFever, Ryan S.; Zhang, Yong; Wu, Fei; Roy, Santanu; Bryantsev, Vyacheslav S.; Margulis, Claudio J.; Maginn, Edward J.

Melting points of alkali chlorides evaluated for a polarizable and non-polarizable model

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-07-01

OAAI

DeFever, Ryan S.; Wang, Haimeng; Zhang, Yong; Maginn, Edward J.