Brennon Shanks

All publications

Latest publications

Uncertainty Quantification for Free Energy Calculations by Generalized Hierarchical Bayesian Inference

M. Škorňa A. Gottfried Z. Janáčková K. L. Baxová P. Jungwirth B. Shanks

Journal of Chemical Theory and Computation 2026: Early View

Bayesian Learning for Accurate and Robust Biomolecular Force Fields

V. Košťál B. Shanks P. Jungwirth H. Martinez-Seara

Journal of Chemical Theory and Computation 22 (5): 2652–2663 (2026)

Physics-Informed Gaussian Process Inference of Liquid Structure from Scattering Data

H. W. Sullivan M. Červenka B. Shanks M. P. Hoepfner

Journal of Physical Chemistry B 129 (45): 11802–11815 (2025)

Charge Scaling Force Field for Biologically Relevant Ions Utilizing a Global Optimization Method

S. Fan P. E. Mason V. Cruces Chamorro B. Shanks H. Martinez-Seara P. Jungwirth

Journal of Chemical Theory and Computation 21 (18): 9023–9034 (2025)