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The Journal of Chemical Physics|August 21, 2023
Determining glass transition in all-atom acrylic polymeric melt simulations using machine learningAtreyee Banerjee, Aysenur Iscen, Kurt Kremer, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 23, 2012
Decoding the energy landscape: extracting structure, dynamics and thermodynamicsDavid J Wales
The Journal of Chemical Physics|February 10, 2017
Atomic clusters with addressable complexityDavid J Wales
ACS Nano|February 15, 2014
Chemistry, geometry, and defects in two dimensionsDavid J Wales
The Journal of Chemical Physics|June 3, 2009
Calculating rate constants and committor probabilities for transition networks by graph transformationDavid J Wales
Annual Review of Physical Chemistry|April 21, 2018
Exploring Energy LandscapesDavid J Wales
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|January 25, 2005
The energy landscape as a unifying theme in molecular scienceDavid J Wales
Physical Biology|November 11, 2005
Energy landscapes and properties of biomoleculesDavid J Wales
Physical Review Letters|December 11, 2014
Role of Structure and Entropy in Determining Differences in Dynamics for Glass Formers with Different Interaction PotentialsAtreyee Banerjee, Shiladitya Sengupta, Srikanth Sastry, et al.
ACS Macro Letters|May 11, 2023
Data-Driven Identification and Analysis of the Glass Transition in Polymer MeltsAtreyee Banerjee, Hsiao-Ping Hsu, Kurt Kremer, et al.
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