Concepedia

Paul Sherwood

PS

78

Publications

8.2K

Citations

40

H-Index

1986

Active since

Affiliations

Daresbury Laboratory(Current)

University College London

Royal Institution of Great Britain

Cardiff University

Research Complex at Harwell

Paul Sherwood is an author at Daresbury Laboratory specializing in engineering, chemistry, and natural sciences.

Top concepts

EngineeringChemistryNatural SciencesQuantum ChemistryChemical EngineeringComputational ChemistryMaterial SciencePhysical ChemistryInorganic ChemistryPhysics

Publications per year

1986–2023

78

Publications

78

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

Paul Sherwood, Alex H. de Vries, Martyn F. Guest et al. · Journal of Molecular Structure THEOCHEM · 2003 · 1K citations

Chemical Engineering, Engineering, Industrial Catalysis +12

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 · 635 citations

Understanding the Behavior of Halogens as Hydrogen Bond Acceptors

Lee Brammer, E.A. Bruton, Paul Sherwood · Crystal Growth & Design · 2001 · 635 citations

Materials Science, Halogenation, Hydrogen Bond Acceptors +14

The GAMESS-UK electronic structure package: algorithms, developments and applications

Martyn F. Guest, Ian J. Bush, Hubertus J. J. van Dam et al. · Molecular Physics · 2005 · 519 citations · Full text

<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 · 501 citations · Full text

Engineering, Modular Software Package, Simulation +23

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