Showing results (451-460 of 11,259) with videos related to
Sort By:
Pageof 1,126
Journal of Chemical Theory and Computation|June 10, 2025
Locality-Sensitive Hashing-Based Data Set Reduction for Deep Potential TrainingAnmol, Anuj Kumar Sirohi, Neha, et al.Journal of Chemical Theory and Computation|June 12, 2025
Investigating Non-Markovian Effects on Quantum Dynamics in Open Quantum SystemsMariia Ivanchenko, Peter L Walters, Fei WangJournal of Chemical Theory and Computation|June 11, 2025
Evaluating the Tamm-Dancoff Approximation for Two-Photon Absorption PropertiesIsmael A Elayan, Ryan Johannson, Alex BrownJournal of Chemical Theory and Computation|June 12, 2025
Charge-Induced Polarization in Dielectric Particle Systems: A Geometry-Dependent EffectEric B LindgrenJournal of Chemical Theory and Computation|June 12, 2025
Non-Hermitian State-to-State Analysis of Transport in Aggregates with Multiple EndpointsDevansh Sharma, Amartya BoseJournal of Chemical Theory and Computation|May 9, 2025
Data-Driven Virtual Screening of Conformational Ensembles of Transition-Metal ComplexesSára Finta, Adarsh V Kalikadien, Evgeny A PidkoJournal of Chemical Theory and Computation|May 9, 2025
An Intermolecular Potential for Accurate Description of the Properties of 12-Ring Siliceous Zeolites∥S A M Shamimul Ahsan, Govardhan Reddy, Smeer Durani, et al.Journal of Chemical Theory and Computation|May 8, 2025
DFSE: Inverse Design of Ferroelectrics from Spatial Symmetry Breaking EvolutionLei Chen, Bang Liu, Zhixin Guo, et al.Journal of Chemical Theory and Computation|May 8, 2025
Conductivity and Diffusivity of Ions in Aqueous MgCl2 from Equilibrium and Nonequilibrium SimulationsTanika Duivenvoorden, Quang K Loi, Stephen Sanderson, et al.Journal of Chemical Theory and Computation|February 17, 2026
Target State Optimization with Density Functional Theory for Computing K-Edge X-ray Absorption SpectraHong Zhu, Yangyi Lu, Jiali Gao, et al.Pageof 1,126