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Scott Habershon

University of Warwick

29H-index
116Paper Count
3.1KCitation Count
Published Papers 59
Publication Date
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Revisiting the Maximum Hardness Principle: A Quantitative Analysis on Reaction Datasets
errJournal of Computational Chemistry
IF4.8
err2026-04-08
err0
PREAI
errAshima Bajaj; Farnaz Heidar-Zadeh; Thijs Stuyver; Scott Habershon; Paul W.Ayers; Frank De Proft
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errSave
Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis
errJournal of the American Chemical Society
IF15.6
err2026-03-13
err0
errOAAI
errKyle Acheson; Rastislav Turanyi; Scott Habershon
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Exploring New Algorithms for Molecular Vibrational Spectroscopy Using Physics-Informed Program Synthesis
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-18
err0
errOAAI
errAcheson, Kyle; Habershon, Scott
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errSave
Contact-Map-Driven Exploration of Heterogeneous Protein-Folding Paths
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-04
err0
errOAAI
errFakhoury, Ziad; Sosso, Gabriele C.; Habershon, Scott
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errSave
Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jl
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-03
err2
errOAAI
errGilkes, Joe; Storr, Mark T.; Maurer, Reinhard J.; Habershon, Scott
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errSave
Integrated computational and experimental design of fluorescent heteroatom-functionalised maleimide derivatives
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errBarker, Jake E.; Richings, Gareth W.; Xie, Yujie; Rho, Julia Y.; Ferguson, Calum T. J.; O'Reilly, Rachel K.; Habershon, Scott
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Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-12-04
err15
errOAAI
errStark, Wojciech G.; Westermayr, Julia; Douglas-Gallardo, Oscar A.; Gardner, James; Habershon, Scott; Maurer, Reinhard J.
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errSave
Assessing Mixed Quantum-Classical Molecular Dynamics Methods for Nonadiabatic Dynamics of Molecules on Metal Surfaces
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-07-28
err12
errOAAI
errGardner, James; Habershon, Scott; Maurer, Reinhard J.
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errSave
Generating Protein Folding Trajectories Using Contact-Map-Driven Directed Walks
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-03-30
err3
errOAAI
errFakhoury, Ziad; Sosso, Gabriele C.; Habershon, Scott
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Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-08
err10
errOAAI
errGardner, James; Corken, Daniel; Janke, Svenja M.; Habershon, Scott; Maurer, Reinhard J.
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errSave
Successes and challenges in using machine-learned activation energies in kinetic simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-07-05
err22
errOAAI
errIsmail, I.; Robertson, C.; Habershon, S.
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errSave
NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-02
err12
errOAAI
errGardner, James; Douglas-Gallardo, Oscar A.; Stark, Wojciech G.; Westermayr, Julia; Janke, Svenja M.; Habershon, Scott; Maurer, Reinhard J.
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errSave
Program Synthesis of Sparse Algorithms for Wave Function andEnergy Prediction in Grid-Based Quantum Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-03-16
err1
errOAAI
errHabershon, Scott
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errSave
Predicting Molecular Photochemistry Using Machine-Learning-Enhanced Quantum Dynamics Simulations
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2022-01-04
err14
errOAAI
errRichings, Gareth W.; Habershon, Scott
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errSave
Experimental and Computational Analysis of Para-Hydroxy Methylcinnamate following Photoexcitation
errMOLECULES
IF4.6
err2021-12-15
err5
errOAAI
errDalton, Jack; Richings, Gareth W.; Woolley, Jack M.; Abiola, Temitope T.; Habershon, Scott; Stavros, Vasilios G.
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errSave
Analyzing Grid-Based Direct Quantum Molecular Dynamics Using Non-Linear Dimensionality Reduction
errMOLECULES
IF4.6
err2021-12-07
err3
errOAAI
errRichings, Gareth W.; Habershon, Scott
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errSave
Assessing and rationalizing the performance of Hessian update schemes for reaction path Hamiltonian rate calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-11-30
err2
errOAAI
errMajerus, R. Chantreau; Robertson, C.; Habershon, S.
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errSave
Solving the Schrodinger equation using program synthesis
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-10-15
err2
errOAAI
errHabershon, Scott
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errSave
Identifying Barrierless Mechanisms for Benzene Formation in the Interstellar Medium Using Permutationally Invariant Reaction Discovery
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-03-18
err12
errOAAI
errRobertson, Christopher; Hyland, Ross; Lacey, Andrew J. D.; Havens, Sebastian; Habershon, Scott
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errSave
Simple position and orientation preconditioning scheme for minimum energy path calculations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-02-22
err4
errOAAI
errRobertson, Christopher; Habershon, Scott
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errSave

Research Directions

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Co-authors
Cooperation Journals
W
William H. Miller
H-index: 129 · Papers: 960
G
Graham R. Fleming
H-index: 120 · Papers: 667
G
Gregory D. Scholes
H-index: 105 · Papers: 823
T
Todd J. Martı́nez
H-index: 93 · Papers: 666
S
Sharon Hammes‐Schiffer
H-index: 83 · Papers: 681
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