J
Jens Glaser
Researcher at University of Michigan
Publications - 36
Citations - 1981
Jens Glaser is an academic researcher from University of Michigan. The author has contributed to research in topics: CUDA & Brownian motion. The author has an hindex of 16, co-authored 34 publications receiving 1506 citations. Previous affiliations of Jens Glaser include National Center for Computational Sciences & University of Minnesota.
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Journal ArticleDOI
Strong scaling of general-purpose molecular dynamics simulations on GPUs
Jens Glaser,Trung Dac Nguyen,Joshua A. Anderson,Pak Lui,Filippo Spiga,Jaime A. Millan,David C. Morse,Sharon C. Glotzer +7 more
TL;DR: A highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue, which achieves optimal GPU performance using an autotuning algorithm.
Journal ArticleDOI
HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations
TL;DR: The Python interface allows users to combine HOOMD-blue with with other packages in the Python ecosystem to create simulation and analysis workflows.
Journal ArticleDOI
Glass transition and rheological redundancy in F-actin solutions
TL;DR: Observations of a glass transition in semidilute F-actin solutions are reported, which could hold the key to a unified explanation of these phenomena and open promising new metrological opportunities.
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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.
Atanu Acharya,Rupesh Agarwal,Rupesh Agarwal,Matthew B. Baker,Jerome Baudry,Debsindhu Bhowmik,Swen Boehm,Kendall G. Byler,Samuel Yen-Chi Chen,Leighton Coates,Connor J. Cooper,Connor J. Cooper,Omar Demerdash,Isabella Daidone,John D. Eblen,John D. Eblen,Sally R. Ellingson,Stefano Forli,Jens Glaser,James C. Gumbart,John A. Gunnels,Oscar Hernandez,Stephan Irle,Stephan Irle,Daniel W. Kneller,Andrey Kovalevsky,Jeffrey M. Larkin,Travis J Lawrence,Scott LeGrand,Shih-Hsien Liu,Shih-Hsien Liu,Julie C. Mitchell,Gilchan Park,Jerry M. Parks,Jerry M. Parks,Anna Pavlova,Loukas Petridis,Loukas Petridis,Duncan Poole,Line Pouchard,Arvind Ramanathan,David M. Rogers,Diogo Santos-Martins,Aaron Scheinberg,Ada Sedova,Y. Shen,Y. Shen,Jeremy C. Smith,Jeremy C. Smith,Micholas Dean Smith,Micholas Dean Smith,Carlos Soto,A. Tsaris,Mathialakan Thavappiragasam,Andreas F. Tillack,Josh V. Vermaas,V. Q. Vuong,V. Q. Vuong,Junqi Yin,Shinjae Yoo,Mai Zahran,Laura Zanetti-Polzi +61 more
TL;DR: A supercomputer-driven pipeline for in silico drug discovery using enhanced sampling molecular dynamics (MD) and ensemble docking is presented, including the use of quantum mechanical, machine learning, and artificial intelligence methods to cluster MD trajectories and rescore docking poses.
Journal ArticleDOI
Universality of block copolymer melts.
TL;DR: Simulations of five different coarse-grained models of symmetric diblock copolymers are compared to demonstrate a universal (i.e., model-independent) dependence of the free energy and order-disorder transition (ODT) on the invariant degree of polymerization N̄.