Hythem Sidky

activity

20172020

most citedNonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets

171 citations · 389 across the 6 of their papers we have counts for

collaborators

Showing 2020Show all

2 papers · 1 filter

physics.comp-ph2020

Molecular Latent Space Simulators

Hythem Sidky, Wei Chen, Andrew L. Ferguson

Small integration time steps limit molecular dynamics (MD) simulations to millisecond time scales. Markov state models (MSMs) and equation-free approaches learn low-dimensional kin…

q-bio.BM2020★ 107 cited

Discovery of Self-Assembling $π$ -Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

Kirill Shmilovich, Rachael A. Mansbach, Hythem Sidky +4

Electronically-active organic molecules have demonstrated great promise as novel soft materials for energy harvesting and transport. Self-assembled nanoaggregates formed from $π$ -c…

Molecular Latent Space Simulators

Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

Discovery of Self-Assembling $π$ -Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation