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L

Lester O. Hedges

university of bristol

15H-index
38Paper Count
1.6KCitation Count
Published Papers 10
Publication Date
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Simulating enzyme catalysis with electrostatically embedded machine learning potentials
errchem. sci.
IF0
err2026-03-11
err0
errOAAI
errValentin Gradisteanu †; Elliot W. Chan †; Lester Hedges; Meritxell Malagarriga; Rolf David; Miguel de la Puente; Damien Laage; Iñaki Tuñón; Marc W. van der Kamp; Kirill Zinovjev
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Enhancing Electrostatic Embedding for ML/MM Free Energy Calculations
errJournal of Chemical Theory and Computation
IF5.5
err2025-11-10
err0
PREAI
errJoão Morado; Kirill Zinovjev; Lester O. Hedges; Daniel J. Cole; Julien Michel
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Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-30
err6
errOAAI
errWoods, Christopher J.; Hedges, Lester O.; Mulholland, Adrian J.; Malaisree, Maturos; Tosco, Paolo; Loeffler, Hannes H.; Suruzhon, Miroslav; Burman, Matthew; Bariami, Sofia; Bosisio, Stefano; Calabro, Gaetano; Clark, Finlay; Mey, Antonia S. J. S.; Michel, Julien
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errSave
emle-engine: A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-28
err7
errOAAI
errZinovjev, Kirill; Hedges, Lester; Montagud Andreu, Ruben; Woods, Christopher; Tunon, Inaki; van der Kamp, Marc W.
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errSave
Stochastic level-set method for shape optimisation
errJOURNAL OF COMPUTATIONAL PHYSICS
IF3.8
err2017-11-01
err22
errOAAI
errHedges, Lester O.; Kim, H. Alicia; Jack, Robert L.
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errSave
Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals
errNATURE MATERIALS
IF38.5
err2013-08-04
err127
errOAAI
errBardhan, Rizia; Hedges, Lester O.; Pint, Cary L.; Javey, Ali; Whitelam, Stephen; Urban, Jeffrey J.
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errSave
Excitations are localized and relaxation is hierarchical in glass-forming liquids (vol 1, 021013, 2011)
errPHYSICAL REVIEW X
IF15.7
err2011-12-30
err5
errOAAI
errKeys, Aaron S.; Hedges, Lester O.; Garrahan, Juan P.; Glotzer, Sharon C.; Chandler, David
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errSave
Excitations Are Localized and Relaxation Is Hierarchical in Glass-Forming Liquids
errPHYSICAL REVIEW X
IF15.7
err2011-11-30
err250
errOAAI
errKeys, Aaron S.; Hedges, Lester O.; Garrahan, Juan P.; Glotzer, Sharon C.; Chandler, David
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errSave
Limit of validity of Ostwald's rule of stages in a statistical mechanical model of crystallization
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-10-27
err57
errOAAI
errHedges, Lester O.; Whitelam, Stephen
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errSave
Decoupling of exchange and persistence times in atomistic models of glass formers
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-12-03
err92
errOAAI
errHedges, Lester O.; Maibaum, Lutz; Chandler, David; Garrahan, Juan P.
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
A
Ali Javey
H-index: 129 · Papers: 491
D
David Chandler
H-index: 108 · Papers: 422
S
Sharon C. Glotzer
H-index: 84 · Papers: 623
A
Adrian J. Mulholland
H-index: 71 · Papers: 474
J
Juan P. Garrahan
H-index: 57 · Papers: 356
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