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Journal of Chemical Theory and Computation|December 18, 2020
Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical ApplicationsEvgeny Moerman, David Furman, David J WalesJournal of Chemical Information and Modeling|February 22, 2021
Development of ReaxFF Reactive Force Field for Aqueous Iron-Sulfur Clusters with Applications to Stability and Reactivity in WaterEvgeny Moerman, David Furman, David J WalesThe Journal of Physical Chemistry Letters|November 5, 2019
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force FieldsDavid Furman, David J WalesThe Journal of Chemical Physics|July 17, 2020
A well-behaved theoretical framework for ReaxFF reactive force fieldsDavid Furman, David J WalesThe Journal of Physical Chemistry. A|April 7, 2022
Energy Landscapes of Carbon Clusters from Tight-Binding Quantum PotentialsDavid Furman, Fedor Naumkin, David J WalesPhysical Review. E|April 19, 2017
Decoding heat capacity features from the energy landscapeDavid J WalesThe Journal of Physical Chemistry Letters|July 8, 2022
Dynamical Signatures of Multifunnel Energy LandscapesDavid J WalesCurrent Opinion in Structural Biology|January 26, 2010
Energy landscapes: some new horizonsDavid J WalesPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 23, 2012
Decoding the energy landscape: extracting structure, dynamics and thermodynamicsDavid J WalesThe Journal of Chemical Physics|February 10, 2017
Atomic clusters with addressable complexityDavid J WalesPageof 34