Publications by Josh Horton - ePrints

Browsing publications by Josh Horton.

Newcastle Authors	Title	Year
Josh Horton Dr Daniel Cole	Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields	2024
Josh Horton Dr Daniel Cole	A transferable double exponential potential for condensed phase simulations of small molecules	2023
Josh Horton Dr Daniel Cole	Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative	2023
Josh Horton Dr Daniel Cole	Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field	2023
Josh Horton Dr Daniel Cole	Fast, conformation-independent charges with graph convolutional networks	2023
Josh Horton	SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials	2023
Dr Mat Bieniek Ben Cree Dr Rachael Pirie Josh Horton Dr Natalie Tatum et al.	An Open-Source Molecular Builder and Free Energy Preparation Workflow	2022
Dr Chris Ringrose Josh Horton Dr Daniel Cole	Exploration and Validation of Force Field Design Protocols through QM-to-MM Mapping	2022
Josh Horton Dr Daniel Cole	Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization At Scale	2022
Lauren Nelson Dr Chris Ringrose Josh Horton Dr Vadiraj Kurdekar Dr Daniel Cole et al.	Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations	2021
Josh Horton Professor Thomas Penfold Dr Daniel Cole	Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field	2021
Josh Horton Dr Daniel Cole	QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics	2019