M. Devereux

Molecular Dynamics with Conformationally Dependent, Distributed Charges.

M. Meuwly, Eric D. Boittier, Mike Devereux, 2022, Journal of chemical theory and computation.

The surprising effects of sulfur: achieving long excited-state lifetimes in heteroleptic copper(i) emitters

C. Housecroft, E. Constable, C. Wegeberg, 2022, Journal of materials chemistry. C.

Back to the future: asymmetrical DπA 2,2′-bipyridine ligands for homoleptic copper(i)-based dyes in dye-sensitised solar cells

C. Housecroft, E. Constable, A. Prescimone, 2023, RSC advances.

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

Phillip S. Hudson, Justin A. Lemkul, Andrew C. Simmonett, 2024, The journal of physical chemistry. B.

Force Fields for Deep Eutectic Mixtures: Application to Structure, Thermodynamics and 2D-Infrared Spectroscopy.

A. Pasti, K. Töpfer, Eric D. Boittier, 2024, The journal of physical chemistry. B.

Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations.

K. Töpfer, Eric D. Boittier, M. Devereux, 2024, Journal of chemical theory and computation.

Force Fields for Deep Eutectic Mixtures: Application to Structure and 2D-Infrared Spectroscopy

A. Pasti, Eric D. Boittier, M. Devereux, 2022 .