Roland Schulz
Roland Schulz
Intel
Verified email at rschulz.eu
Title
Cited by
Cited by
Year
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
66232015
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
52752013
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, S Páll, JC Smith, B Hess, E Lindahl
J. SOFTX 1, 2015
2222015
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
1582014
Mechanism of lignin inhibition of enzymatic biomass deconstruction
JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner, JC Smith
Biotechnology for biofuels 8 (1), 1-16, 2015
1352015
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
1082009
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
1022011
SoftwareX 1-2, 19 (2015)
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
102
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: 19–25
MJ Abraham, T Murtola, R Schulz
88
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
572011
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
372014
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
352013
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
322013
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
202017
Instantaneous normal modes and the protein glass transition
R Schulz, M Krishnan, I Daidone, JC Smith
Biophysical Journal 96 (2), 476-484, 2009
162009
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
102012
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
42020
HESS phase-I observations of the plane of the Milky Way E1
T Forveille, S Campana, S Shore, E Fossat, FX Schmider, G Kovacs, ...
Astronomy & Astrophysics 612, 2018
22018
Protein Dynamical Transition: Role of Methyl Dynamics and Local Diffusion
M Krishnan, R Schulz, JC Smith
AIP Conference Proceedings 1102 (1), 122-131, 2009
12009
Methods and systems for executing vectorized pythagorean tuple instructions
R Schulz, JR Hammond, J Corbal
US Patent App. 15/721,842, 2019
2019
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Articles 1–20