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The Journal of Physical Chemistry. A|April 5, 2023
Reorganization Energy Predictions with Graph Neural Networks Informed by Low-Cost ConformersCheng-Han Li, Daniel P TaborChemical Science|October 20, 2023
Generative organic electronic molecular design informed by quantum chemistryCheng-Han Li, Daniel P TaborNature Materials|March 27, 2023
The role of the electrolyte in non-conjugated radical polymers for metal-free aqueous energy storage electrodesTing Ma, Cheng-Han Li, Ratul Mitra Thakur, et al.The Journal of Physical Chemistry. A|April 28, 2026
Construction of Arbitrary-Order Internal Coordinate Transformations to Improve Studies of Large-Amplitude MotionsMark A Boyer, Daniel P TaborChemistry of Materials : a Publication of the American Chemical Society|February 15, 2024
Charge Transfer in Spatially Defined Organic Radical PolymersTing Ma, Evan Fox, Miao Qi, et al.Journal of Chemical Theory and Computation|March 14, 2025
Shadow Molecular Dynamics with a Machine Learned Flexible Charge PotentialCheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, et al.JACS Au|June 28, 2024
Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic BatteriesRiccardo Alessandri, Cheng-Han Li, Sheila Keating, et al.The Journal of Physical Chemistry. A|September 17, 2015
Modeling the CH Stretch Vibrational Spectroscopy of M(+)[Cyclohexane] (M = Li, Na, and K) IonsEdwin L Sibert, Daniel P Tabor, James M LisyMolecular Systems Design & Engineering|January 15, 2024
Data-Driven Models for Predicting Intrinsically Disordered Protein Polymer Physics Directly from Composition or SequenceTzu-Hsuan Chao, Shiv Rekhi, Jeetain Mittal, et al.Soft Matter|July 3, 2025
Low-data machine learning models for predicting thermodynamic properties of solid-solid phase transformations in plastic crystalsTzu-Hsuan Chao, Alexander Foncerrada, Patrick J Shamberger, et al.Pageof 7