Jonathan K. Whitmer
University of Notre Dame
H-index: 24
North America-United States
Top articles of Jonathan K. Whitmer
Title | Journal | Author(s) | Publication Date |
---|---|---|---|
Thermodynamics of Li+–Crown Ether Interactions in Aqueous Solvent | The Journal of Physical Chemistry A | Ramón González-Pérez Stephen Adams Alexander W Dowling William A Phillip Jonathan K Whitmer | 2023/5/17 |
Transfer Learning Facilitates the Prediction of Polymer–Surface Adhesion Strength | Journal of Chemical Theory and Computation | Jiale Shi Fahed Albreiki Yamil J Colón Samanvaya Srivastava Jonathan K Whitmer | 2023/4/17 |
Structures, thermodynamics and dynamics of topological defects in Gay–Berne nematic liquid crystals | Soft Matter | Yulu Huang Weiqiang Wang Jonathan K Whitmer Rui Zhang | 2023 |
Predicting adhesive free energies of polymer–surface interactions with machine learning | ACS Applied Materials & Interfaces | Jiale Shi Michael J Quevillon Pedro H Amorim Valença Jonathan K Whitmer | 2022/8/2 |
Free-Energy Landscape and Isomerization Rates of Au4 Clusters at Finite Temperatures | The Journal of Physical Chemistry A | Jiale Shi Shanghui Huang François Gygi Jonathan K Whitmer | 2022/5/18 |
Code interoperability extends the scope of quantum simulations | Marco Govoni Jonathan Whitmer Juan de Pablo Francois Gygi Giulia Galli | 2021/2/19 | |
A molecular view of plasticization of polyvinyl alcohol | The Journal of chemical physics | Ernesto C Cortés-Morales Vikramjit S Rathee Ahmad Ghobadi Jonathan K Whitmer | 2021/11/7 |
Exploring the Potential of Parallel Biasing in Flat Histogram Methods | arXiv preprint arXiv:2109.05005 | Shanghui Huang Michael J Quevillon Ernesto C Cortés-Morales Jonathan K Whitmer | 2021/9/10 |
Linking dynamics and structure in highly asymmetric ionic liquids | arXiv preprint arXiv:2108.12467 | Mariana E Farías-Anguiano Ernesto C Cortés-Morales Jonathan K Whitmer Pedro E Ramírez-González | 2021/8/27 |
Automated determination of n-cyanobiphenyl and n-cyanobiphenyl binary mixtures elastic constants in the nematic phase from molecular simulation | Molecular Systems Design & Engineering | Jiale Shi Hythem Sidky Jonathan K Whitmer | 2020 |
Surveying the free energy landscape of clusters of attractive colloidal spheres | The Journal of Chemical Physics | Shanghui Huang Michael J Quevillon Soren Kyhl Jonathan K Whitmer | 2020/4/7 |
Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes | Journal of chemical theory and computation | Emre Sevgen Ashley Z Guo Hythem Sidky Jonathan K Whitmer Juan J De Pablo | 2020/1/17 |