Simon Boothroyd

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 4

Top Topics

Density Functional Theory

Minimally Invasive

Single Molecule

Top Venues

Digital discovery

The Journal of chemical physics

Journal of chemical information and modeling

Journal of chemical theory and computation

Lancaster University (PHD)

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

Education History

Lancaster University Aug 1o 2014 - Aug 22o 2018

United Kingdom

PHD :: Chemistry

Publications

Joshua T Horton, Simon Boothroyd, Pavan Kumar Behara, David L Mobley, Daniel J Cole
A transferable double exponential potential for condensed phase simulations of small molecules. Digital discovery 2 (4) (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, Lee-Ping Wang, David L Mobley, John D Chodera, Michael R Shirts
Open Force Field Evaluator: An Automated, Efficient, and Scalable Framework for the Estimation of Physical Properties from Molecular Simulation. Journal of chemical theory and computation 18 (6) (2022)
Simon Boothroyd, Jamshed Anwar
Solubility prediction for a soluble organic molecule via chemical potentials from density of states. The Journal of chemical physics 151 (18) (2019)