Simon Boothroyd

Publication Activity (10 Years)

Years Active: 2022-2022
Publications (10 Years): 3

Top Topics

Top Venues

J. Chem. Inf. Model.

J. Open Source Softw.

Publications

Joshua T. Horton, Simon Boothroyd, Jeffrey Wagner, Joshua A. Mitchell, Trevor Gokey, David L. Dotson, Pavan Kumar Behara, Venkata Krishnan Ramaswamy, Mark Mackey, John D. Chodera, Jamshed Anwar, David L. Mobley, Daniel J. Cole
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale. J. Chem. Inf. Model. 62 (22) (2022)
Owen Madin, Simon Boothroyd, Richard A. Messerly, Josh Fass, John D. Chodera, Michael R. Shirts
Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models. J. Chem. Inf. Model. 62 (4) (2022)
Pascal T. Merz, Wei-Tse Hsu, Matt W. Thompson, Simon Boothroyd, Chris C. Walker, Michael R. Shirts
physical_validation: A Python package to assess the physical validity of molecular simulation results. J. Open Source Softw. 7 (69) (2022)