Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations... Journal February, 2021
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 Journal December, 2020
Spatial core-edge coupling of the particle-in-cell gyrokinetic codes GEM and XGC Journal December, 2020
Parton Distribution Functions from Ioffe Time Pseudodistributions from Lattice Calculations: Approaching the Physical Point Journal December, 2020
Assessing Terrestrial Biogeochemical Feedbacks in A Strategically Geoengineered Climate Journal September, 2020
Global gyrokinetic particle simulations of microturbulence in W7-X and LHD stellarators Journal August, 2020
Deconstruction of biomass enabled by local demixing of cosolvents at cellulose and lignin surfaces... Journal July, 2020
ADIOS 2: The Adaptable Input Output System. A framework for high-performance data management Journal July, 2020
