Concepedia

Thomas W. Keal

TW

Statistics

Publications

32

Citations

3.8K

H-Index

24

Active since

2003

Affiliations

Daresbury Laboratory(Current)

University College London

Cardiff University

Durham University

London South Bank University

Thomas W. Keal is an author at Daresbury Laboratory specializing in chemistry, natural sciences, and computational chemistry.

Publications per year

2003–2025

32

Publications

32

DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations

Johannes Kästner, Joanne M. Carr, Thomas W. Keal et al. · The Journal of Physical Chemistry A · 2009 · 650 citations

Natural Sciences, Chemistry, Computational Chemistry +16

<scp>C</scp>hem<scp>S</scp>hell—a modular software package for <scp>QM</scp>/<scp>MM</scp> simulations

Sebastian Metz, Johannes Kästner, Alexey A. Sokol et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 517 citations · Full text

Natural Sciences, Chemistry, Physics +17

Assessment of a Coulomb-attenuated exchange–correlation energy functional

M J Peach, Trygve Helgaker, Paweł Sałek et al. · Physical Chemistry Chemical Physics · 2005 · 476 citations · Full text

Natural Sciences, Chemistry, Physics +16

The exchange-correlation potential in Kohn–Sham nuclear magnetic resonance shielding calculations

Thomas W. Keal, David J. Tozer · The Journal of Chemical Physics · 2003 · 270 citations

Natural Sciences, Chemistry, Computational Chemistry +13

Implementation of surface hopping molecular dynamics using semiempirical methods

Eduardo Fabiano, Thomas W. Keal, Walter Thiel · Chemical Physics · 2008 · 257 citations

Natural Sciences, Chemistry, Physics +10

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