Roland Schulz

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Jeremy C SmithUniversity of Tennessee KnoxvilleVerified email at ornl.gov
Erik LindahlProfessor of Biophysics, Stockholm University & KTH, Science for Life LaboratoryVerified email at dbb.su.se
Berk HessKTH Royal Institute of Technology, Stockholm, Sweden; Science for Life Laboratory, Stockholm, SwedenVerified email at scilifelab.se
Szilárd PállResearcher, PDC KTH Royal Institute of TechnologyVerified email at kth.se
Mark AbrahamVoxo ABVerified email at kth.se
Loukas PetridisStaff Scientist, Oak Ridge National LaboratoryVerified email at ornl.gov
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderVerified email at colorado.edu
Peter KassonAssociate Professor, University of Virginia and Uppsala UniversityVerified email at virginia.edu
Pär BjelkmarPublic Health Agency of SwedenVerified email at folkhalsomyndigheten.se
Rossen ApostolovResearcher, KTH Royal Institute of TechnologyVerified email at kth.se
Per LarssonAssociate Professor, Uppsala UniversityVerified email at farmaci.uu.se
David van der SpoelProfessor of Biology, Uppsala UniversityVerified email at xray.bmc.uu.se
Marimuthu KrishnanIIIT-Hyderabad; Past: JNCASR, Heidelberg University, Oak Ridge Lab, Michigan State UniversityVerified email at iiit.ac.in
Gregg T. BeckhamNational Renewable Energy LaboratoryVerified email at nrel.gov
Michael F CrowleyPrincipal Scientist, National Renewable Energy LaboratoryVerified email at nrel.gov
Isabella DaidoneUniversity of L'AquilaVerified email at univaq.it
René PoolDepartment of Biological Psychology, Faculty of Psychology and Education, VU University AmsterdamVerified email at vu.nl
Anton FeenstraAssistant professor of Bioinformatics, IBIVU Centre for Integrative Bioinformatics, VU UniversityVerified email at vu.nl
Hao-Bo GuoAFRL/UESVerified email at us.af.mil
John PennycookApplication Engineer, Intel CorporationVerified email at intel.com

Roland Schulz

Intel

Verified email at rschulz.eu

Computational Biophysics High-Performance Computing


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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl SoftwareX 1, 19-25, 2015	10635	2015
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ... Bioinformatics 29 (7), 845-854, 2013	6165	2013
Common processes drive the thermochemical pretreatment of lignocellulosic biomass P Langan, L Petridis, HM O'Neill, SV Pingali, M Foston, Y Nishiyama, ... Green Chemistry 16 (1), 63-68, 2014	193	2014
Mechanism of lignin inhibition of enzymatic biomass deconstruction JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner, J Smith Biotechnology for biofuels 8 (1), 1-16, 2015	182	2015
SoftwareX 1-2, 19 (2015) MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl	165	2015
Pá ll S, Smith JC, Hess B, et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX. 2015; 1–2: 19–25 MJ Abraham, T Murtola, R Schulz	144
Scaling of multimillion-atom biological molecular dynamics simulation on a petascale supercomputer R Schulz, B Lindner, L Petridis, JC Smith Journal of Chemical Theory and Computation 5 (10), 2798-2808, 2009	116	2009
Simulation analysis of the temperature dependence of lignin structure and dynamics L Petridis, R Schulz, JC Smith Journal of the American Chemical Society 133 (50), 20277-20287, 2011	114	2011
Task‐parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high‐performance super‐computers B Collignon, R Schulz, JC Smith, J Baudry Journal of computational Chemistry 32 (6), 1202-1209, 2011	65	2011
Solvent-driven preferential association of lignin with regions of crystalline cellulose in molecular dynamics simulation B Lindner, L Petridis, R Schulz, JC Smith Biomacromolecules 14 (10), 3390-3398, 2013	46	2013
Hydration control of the mechanical and dynamical properties of cellulose L Petridis, HM O’Neill, M Johnsen, B Fan, R Schulz, E Mamontov, ... Biomacromolecules 15 (11), 4152-4159, 2014	41	2014
Bacillus subtilis Lipid Extract, A Branched-Chain Fatty Acid Model Membrane JD Nickels, S Chatterjee, B Mostofian, CB Stanley, M Ohl, P Zolnierczuk, ... The journal of physical chemistry letters 8 (17), 4214-4217, 2017	33	2017
Initial recognition of a cellodextrin chain in the cellulose-binding tunnel may affect cellobiohydrolase directional specificity PK GhattyVenkataKrishna, EM Alekozai, GT Beckham, R Schulz, ... Biophysical journal 104 (4), 904-912, 2013	32	2013
Data parallel c++ enhancing sycl through extensions for productivity and performance B Ashbaugh, A Bader, J Brodman, J Hammond, M Kinsner, J Pennycook, ... Proceedings of the International Workshop on OpenCL, 1-2, 2020	26	2020
Instantaneous normal modes and the protein glass transition R Schulz, M Krishnan, I Daidone, JC Smith Biophysical Journal 96 (2), 476-484, 2009	18	2009
Enabling grand‐canonical Monte Carlo: Extending the flexibility of GROMACS through the GromPy python interface module R Pool, J Heringa, M Hoefling, R Schulz, JC Smith, KA Feenstra Journal of Computational Chemistry 33 (12), 1207-1214, 2012	10	2012
Apparatus and method for loop flattening and reduction in a single instruction multiple data (SIMD) pipeline WM Brown, R Schulz, K Raman US Patent 10,409,601, 2019	3	2019
Protein dynamical transition: Role of methyl dynamics and local diffusion M Krishnan, R Schulz, JC Smith AIP Conference Proceedings 1102 (1), 122-131, 2009	2	2009
Advances in the OpenCL offload support in GROMACS. S Páll, R Schulz IWOCL, 7:1, 2019	1	2019
Methods and systems for executing vectorized pythagorean tuple instructions R Schulz, JR Hammond, J Corbal US Patent App. 15/721,842, 2019	1	2019

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