Jonathan K Whitmer

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 22

Top Topics

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Materials (Basel, Switzerland)

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

Publications

Andrew V Marquardt, Mohsen Farshad, Jonathan K Whitmer
Calculating Binding Free Energies in Model Host-Guest Systems with Unrestrained Advanced Sampling. Journal of chemical theory and computation (2024)
Andrew V Marquardt, Mohsen Farshad, Jonathan K Whitmer
Calculating Binding Free Energies in Model Host-Guest Systems with Unrestrained Advanced Sampling. Journal of chemical theory and computation 20 (9) (2024)
Jiale Shi, Fahed Albreiki, Yamil J Colón, Samanvaya Srivastava, Jonathan K Whitmer
Transfer Learning Facilitates the Prediction of Polymer-Surface Adhesion Strength. Journal of chemical theory and computation (2023)
Yulu Huang, Weiqiang Wang, Jonathan K Whitmer, Rui Zhang
Structures, thermodynamics and dynamics of topological defects in Gay-Berne nematic liquid crystals. Soft matter 19 (3) (2023)
Ramón González-Pérez, Stephen Adams, Alexander W Dowling, William A Phillip, Jonathan K Whitmer
Thermodynamics of Li + -Crown Ether Interactions in Aqueous Solvent. The journal of physical chemistry. A (2023)
Yulu Huang, Weiqiang Wang, Jonathan K Whitmer, Rui Zhang
Structures, thermodynamics and dynamics of topological defects in Gay-Berne nematic liquid crystals. Soft matter (2022)
Jiale Shi, Michael J Quevillon, Pedro H Amorim Valença, Jonathan K Whitmer
Predicting Adhesive Free Energies of Polymer-Surface Interactions with Machine Learning. ACS applied materials & interfaces 14 (32) (2022)
Jiale Shi, Shanghui Huang, Francois Gygi, Jonathan K Whitmer
Free-Energy Landscape and Isomerization Rates of Au 4 Clusters at Finite Temperatures. The journal of physical chemistry. A 126 (21) (2022)
Ernesto C Cortés-Morales, Vikramjit S Rathee, Ahmad Ghobadi, Jonathan K Whitmer
A molecular view of plasticization of polyvinyl alcohol. The Journal of chemical physics 155 (17) (2021)
Emre Sevgen, Ashley Z Guo, Hythem Sidky, Jonathan K Whitmer, Juan J de Pablo
Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes. Journal of chemical theory and computation 16 (3) (2020)
Michael J Quevillon, Jonathan K Whitmer
Correction: Quevillon, M.J., et al. Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations. Materials 2018, 11, 64. Materials (Basel, Switzerland) 14 (1) (2020)
Anne C Leonhard, Jonathan K Whitmer
Accurate Determination of Cavitand Binding Free Energies via Unrestrained Advanced Sampling. Journal of chemical theory and computation 15 (11) (2019)
Ming Han, Jonathan K Whitmer, Erik Luijten
Dynamics and structure of colloidal aggregates under microchannel flow. Soft matter 15 (4) (2019)
Vikramjit S Rathee, Hythem Sidky, Benjamin J Sikora, Jonathan K Whitmer
Explicit Ion Effects on the Charge and Conformation of Weak Polyelectrolytes. Polymers 11 (1) (2019)
Vikramjit S Rathee, Hythem Sidky, Benjamin J Sikora, Jonathan K Whitmer
Role of Associative Charging in the Entropy-Energy Balance of Polyelectrolyte Complexes. Journal of the American Chemical Society 140 (45) (2018)
Ashley Z Guo, Emre Sevgen, Hythem Sidky, Jonathan K Whitmer, Jeffrey A Hubbell, Juan J de Pablo
Adaptive enhanced sampling by force-biasing using neural networks. The Journal of chemical physics 148 (13) (2018)
Hythem Sidky, Jonathan K Whitmer
Learning free energy landscapes using artificial neural networks. The Journal of chemical physics 148 (10) (2018)
Michael J Quevillon, Jonathan K Whitmer
Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations. Materials (Basel, Switzerland) 11 (1) (2018)
Vikramjit S Rathee, Aristotle J Zervoudakis, Hythem Sidky, Benjamin J Sikora, Jonathan K Whitmer
Weak polyelectrolyte complexation driven by associative charging. The Journal of chemical physics 148 (11) (2018)
Emre Sevgen, Federico Giberti, Hythem Sidky, Jonathan K Whitmer, Giulia Galli, Francois Gygi, Juan J de Pablo
Hierarchical Coupling of First-Principles Molecular Dynamics with Advanced Sampling Methods. Journal of chemical theory and computation 14 (6) (2018)
Hythem Sidky, Yamil J Colón, Julian Helfferich, Benjamin J Sikora, Cody Bezik, Weiwei Chu, Federico Giberti, Ashley Z Guo, Xikai Jiang, Joshua Lequieu, Jiyuan Li, Joshua Moller, Michael J Quevillon, Mohammad Rahimi, Hadi Ramezani-Dakhel, Vikramjit S Rathee, Daniel R Reid, Emre Sevgen, Vikram Thapar, Michael A Webb, Jonathan K Whitmer, Juan J de Pablo
SSAGES: Software Suite for Advanced General Ensemble Simulations. The Journal of chemical physics 148 (4) (2018)
Hythem Sidky, Jonathan K Whitmer
The Emergent Nematic Phase in Ionic Chromonic Liquid Crystals. The journal of physical chemistry. B 121 (27) (2017)