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Scientific Reports|June 18, 2021
Parsimonious neural networks learn interpretable physical lawsSaaketh Desai, Alejandro StrachanThe Journal of Chemical Physics|December 17, 2017
Molecular modeling of the microstructure evolution during carbon fiber processingSaaketh Desai, Chunyu Li, Tongtong Shen, et al.Plos One|March 10, 2022
Sim2Ls: FAIR simulation workflows and dataMartin Hunt, Steven Clark, Daniel Mejia, et al.The Journal of Chemical Physics|July 23, 2004
Normal modes and frequencies from covariances in molecular dynamics or Monte Carlo simulationsAlejandro StrachanJournal of Cheminformatics|November 13, 2025
Predicting the critical micelle concentration of binary surfactant mixtures using machine learningAditya Choudhary, Saaketh Desai, Methun Kamruzzaman, et al.Journal of Chemical Theory and Computation|April 23, 2026
Learning Latent Representations to Bridge Coarse-Grained and Atomistic Resolutions in Polymer SimulationsSaaketh Desai, Mark Wilson, Songyue Liu, et al.Colloids and Surfaces. B, Biointerfaces|October 30, 2016
An investigation of the interactions between an E. coli bacterial quorum sensing biosensor and chitosan-based nanocapsulesXiaofei Qin, Christoph Engwer, Saaketh Desai, et al.The Journal of Chemical Physics|August 10, 2015
Voltage equilibration for reactive atomistic simulations of electrochemical processesNicolas Onofrio, Alejandro StrachanThe Journal of Chemical Physics|March 2, 2015
Mesoscale simulations of shockwave energy dissipation via chemical reactionsEdwin Antillon, Alejandro StrachanScientific Data|November 25, 2023
High-throughput density functional theory screening of double transition metal MXene precursorsKat Nykiel, Alejandro StrachanPageof 6