Owen C Madin

Publication Activity (10 Years)

Years Active: 2022-2023
Publications (10 Years): 4

Top Topics

Virtual Reality

Electronic Health Record

Single Molecule

Molecular Dynamics Simulations

Top Venues

Journal of chemical theory and computation

Digital discovery

Journal of chemical information and modeling

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

Publications

Owen C Madin, Michael R Shirts
Using physical property surrogate models to perform accelerated multi-fidelity optimization of force field parameters. Digital discovery 2 (3) (2023)
Simon Boothroyd, Pavan Kumar Behara, Owen C Madin, David F Hahn, Hyesu Jang, Vytautas Gapsys, Jeffrey R Wagner, Joshua T Horton, David L Dotson, Matthew W Thompson, Jessica Maat, Trevor Gokey, Lee-Ping Wang, Daniel J Cole, Michael K Gilson, John D Chodera, Christopher I Bayly, Michael R Shirts, David L Mobley
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field. Journal of chemical theory and computation (2023)
Owen C 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. Journal of chemical information and modeling 62 (4) (2022)
Simon Boothroyd, Owen C Madin, David L Mobley, Lee-Ping Wang, John D Chodera, Michael R Shirts
Improving Force Field Accuracy by Training against Condensed-Phase Mixture Properties. Journal of chemical theory and computation 18 (6) (2022)