403 citations · 957 across the 25 of their papers we have counts for
3 papers · 1 filter
MolSieve: A Progressive Visual Analytics System for Molecular Dynamics Simulations
Rostyslav Hnatyshyn, Jieqiong Zhao, Danny Perez +2
Molecular Dynamics (MD) simulations are ubiquitous in cutting-edge physio-chemical research. They provide critical insights into how a physical system evolves over time given a mod…
Improving Estimation of the Koopman Operator with Kolmogorov-Smirnov Indicator Functions
Van A. Ngo, Yen Ting Lin, Danny Perez
It has become common to perform kinetic analysis using approximate Koopman operators that transforms high-dimensional time series of observables into ranked dynamical modes. Key to…
Arbitrarily accurate, nonparametric coarse graining with Markov renewal processes and the Mori-Zwanzig formulation
David Aristoff, Mats Johnson, Danny Perez
Stochastic dynamics, such as molecular dynamics, are important in many scientific applications. However, summarizing and analyzing the results of such simulations is often challeng…