Ryan S DeFever

ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 9

Top Venues

The Journal of chemical physics

Journal of chemical information and modeling

Chemical science

Journal of computational chemistry

University of Notre Dame

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Notre Dame

United States

Postdoctoral Research Associate :: Department of Chemical and Biomolecular Engineering

Publications

Ning Wang, Ryan S DeFever, Edward J Maginn
Alchemical Free Energy and Hamiltonian Replica Exchange Molecular Dynamics to Compute Hydrofluorocarbon Isotherms in Imidazolium-Based Ionic Liquids. Journal of chemical theory and computation (2023)
Bridgette J Befort, Ryan S DeFever, Garrett M Tow, Alexander W Dowling, Edward J Maginn
Machine Learning Directed Optimization of Classical Molecular Modeling Force Fields. Journal of chemical information and modeling 61 (9) (2021)
Ryan S DeFever, Edward J Maginn
Computing the Liquidus of Binary Monatomic Salt Mixtures with Direct Simulation and Alchemical Free Energy Methods. The journal of physical chemistry. A 125 (38) (2021)
Ryan S DeFever, Ray A Matsumoto, Alexander W Dowling, Peter T Cummings, Edward J Maginn
MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software. Journal of computational chemistry 42 (18) (2021)
Ryan S DeFever, Haimeng Wang, Yong Zhang, Edward J Maginn
Melting points of alkali chlorides evaluated for a polarizable and non-polarizable model. The Journal of chemical physics 153 (1) (2020)
Xiaohong Zhang, Ryan S DeFever, Sapna Sarupria, Rachel B Getman
Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated Using Classical and Quantum Approaches. Journal of chemical information and modeling 59 (5) (2019)
Ryan S DeFever, Colin Targonski, Steven W Hall, Melissa C Smith, Sapna Sarupria
A generalized deep learning approach for local structure identification in molecular simulations. Chemical science 10 (32) (2019)
Ryan S DeFever, Sapna Sarupria
Contour forward flux sampling: Sampling rare events along multiple collective variables. The Journal of chemical physics 150 (2) (2019)
Ryan S DeFever, Sapna Sarupria
Nucleation mechanism of clathrate hydrates of water-soluble guest molecules. The Journal of chemical physics 147 (20) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Ryan S DeFever