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Jens Glaser
Jens Glaser
Senior Computational Scientist, Oak Ridge National Laboratory
Verified email at ornl.gov - Homepage
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Cited by
Year
Strong scaling of general-purpose molecular dynamics simulations on GPUs
J Glaser, TD Nguyen, JA Anderson, P Lui, F Spiga, JA Millan, DC Morse, ...
Computer Physics Communications 192, 97-107, 2015
7172015
HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations
JA Anderson, J Glaser, SC Glotzer
Computational Materials Science 173, 109363, 2020
5242020
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...
Journal of chemical information and modeling 60 (12), 5832-5852, 2020
1752020
Glass transition and rheological redundancy in F-actin solutions
C Semmrich, T Storz, J Glaser, R Merkel, AR Bausch, K Kroy
Proceedings of the National Academy of Sciences 104 (51), 20199-20203, 2007
1732007
Universality of block copolymer melts
J Glaser, P Medapuram, TM Beardsley, MW Matsen, DC Morse
Physical review letters 113 (6), 068302, 2014
1382014
The glassy wormlike chain
K Kroy, J Glaser
New Journal of Physics 9 (11), 416, 2007
1252007
Universal phenomenology of symmetric diblock copolymers near the order–disorder transition
P Medapuram, J Glaser, DC Morse
Macromolecules 48 (3), 819-839, 2015
1122015
Supercharging enables organized assembly of synthetic biomolecules
AJ Simon, Y Zhou, V Ramasubramani, J Glaser, A Pothukuchy, J Gollihar, ...
Nature chemistry 11 (3), 204-212, 2019
852019
Collective and single-chain correlations in disordered melts of symmetric diblock copolymers: Quantitative comparison of simulations and theory
J Glaser, J Qin, P Medapuram, DC Morse
Macromolecules 47 (2), 851-869, 2014
722014
Tube width fluctuations in F-actin solutions
J Glaser, D Chakraborty, K Kroy, I Lauter, M Degawa, N Kirchgeßner, ...
Physical review letters 105 (3), 037801, 2010
472010
Test of a scaling hypothesis for the structure factor of disordered diblock copolymer melts
J Glaser, J Qin, P Medapuram, M Müller, DC Morse
Soft Matter 8 (44), 11310-11317, 2012
462012
Generalised Einstein relation for hot Brownian motion
D Chakraborty, MV Gnann, D Rings, J Glaser, F Otto, F Cichos, K Kroy
Europhysics Letters 96 (6), 60009, 2011
462011
Metastable orientational order of colloidal discoids
LC Hsiao, BA Schultz, J Glaser, M Engel, ME Szakasits, SC Glotzer, ...
Nature Communications 6 (1), 8507, 2015
452015
High-throughput virtual laboratory for drug discovery using massive datasets
J Glaser, JV Vermaas, DM Rogers, J Larkin, S LeGrand, S Boehm, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
432021
Using depletion to control colloidal crystal assemblies of hard cuboctahedra
AS Karas, J Glaser, SC Glotzer
Soft Matter 12 (23), 5199-5204, 2016
382016
Supercomputing pipelines search for therapeutics against covid-19
JV Vermaas, A Sedova, MB Baker, S Boehm, DM Rogers, J Larkin, ...
Computing in Science & Engineering 23 (1), 7-16, 2020
292020
Pressure in rigid body molecular dynamics
J Glaser, X Zha, JA Anderson, SC Glotzer, A Travesset
Computational Materials Science 173, 109430, 2020
282020
Language models for the prediction of SARS-CoV-2 inhibitors
AE Blanchard, J Gounley, D Bhowmik, M Chandra Shekar, I Lyngaas, ...
The International Journal of High Performance Computing Applications 36 (5-6 …, 2022
262022
Automating genetic algorithm mutations for molecules using a masked language model
AE Blanchard, MC Shekar, S Gao, J Gounley, I Lyngaas, J Glaser, ...
IEEE Transactions on Evolutionary Computation 26 (4), 793-799, 2022
262022
Hit expansion of a noncovalent SARS-CoV-2 main protease inhibitor
J Glaser, A Sedova, S Galanie, DW Kneller, RB Davidson, E Maradzike, ...
ACS Pharmacology & Translational Science 5 (4), 255-265, 2022
242022
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