Jeremiah Wilke
Titolo
Citata da
Citata da
Anno
Psi4: an open‐source ab initio electronic structure program
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012
6672012
Conformers of gaseous cysteine
JJ Wilke, MC Lind, HF Schaefer III, AG Császár, WD Allen
Journal of Chemical Theory and Computation 5 (6), 1511-1523, 2009
1102009
Origin of the SN2 benzylic effect
B Galabov, V Nikolova, JJ Wilke, HF Schaefer Iii, WD Allen
Journal of the American Chemical Society 130 (30), 9887-9896, 2008
652008
Flexfly: enabling a reconfigurable dragonfly through silicon photonics
K Wen, P Samadi, S Rumley, CP Chen, Y Shen, M Bahadroi, K Bergman, ...
Proceedings of the International Conference for High Performance Computing …, 2016
532016
Establishment of the C2H5+ O2 reaction mechanism: A combustion archetype
JJ Wilke, WD Allen, HF Schaefer
Journal of Chemical Physics 128 (7), 74308-74500, 2008
432008
WIREs Comput. Mol. Sci. 2, 556 (2012)
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
35
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2, 556 (2012)
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
30
Density cumulant functional theory: First implementation and benchmark results for the DCFT-06 model
AC Simmonett, JJ Wilke, HF Schaefer III, W Kutzelnigg
The Journal of chemical physics 133 (17), 174122, 2010
272010
The Beryllium tetramer: Profiling an elusive molecule
PN Ascik, JJ Wilke, AC Simmonett, Y Yamaguchi, HF Schaefer III
The Journal of chemical physics 134 (7), 074110, 2011
212011
Validation and uncertainty assessment of extreme-scale HPC simulation through bayesian inference
JJ Wilke, K Sargsyan, JP Kenny, B Debusschere, HN Najm, G Hendry
European Conference on Parallel Processing, 41-52, 2013
182013
Analytic gradients for density cumulant functional theory: The DCFT-06 model
AY Sokolov, JJ Wilke, AC Simmonett, HF Schaefer III
The Journal of chemical physics 137 (5), 054105, 2012
182012
APHiD: Hierarchical Task Placement to Enable a Tapered Fat Tree Topology for Lower Power and Cost in HPC Networks
G Michelogiannakis, KZ Ibrahim, J Shalf, JJ Wilke, S Knight, JP Kenny
Cluster, Cloud and Grid Computing (CCGRID), 2017 17th IEEE/ACM International …, 2017
172017
Resonance Bonding Patterns of Peroxide Chemistry: Cyclic Three-Center Hyperbonding in “Phosphadioxirane” Intermediates
JJ Wilke, F Weinhold
Journal of the American Chemical Society 128 (36), 11850-11859, 2006
152006
Aluminum Foils: The Contrasting Characters of Hyperconjugation and Steric Repulsion in Aluminum Dimetallocenes
KR Compaan, JJ Wilke, HF Schaefer III
Journal of the American Chemical Society 133 (34), 13387-13396, 2011
142011
Topology-aware performance optimization and modeling of adaptive mesh refinement codes for exascale
CP Chan, JD Bachan, JP Kenny, JJ Wilke, VE Beckner, AS Almgren, ...
Communication Optimizations in HPC (COMHPC), International Workshop on, 17-28, 2016
132016
Explicitly correlated atomic orbital basis second order Møller–Plesset theory
DS Hollman, JJ Wilke, HF Schaefer
The Journal of chemical physics 138 (6), 064107, 2013
122013
The subtleties of explicitly correlated Z-averaged perturbation theory: Choosing an R12 method for high-spin open-shell molecules
JJ Wilke, HF Schaefer III
The Journal of chemical physics 131 (24), 244116, 2009
122009
A laboratory and theoretical study of protonated carbon disulfide, HSCS+
MC McCarthy, P Thaddeus, JJ Wilke, HF Schaefer
Journal of Chemical Physics 130 (23), 234304, 2009
122009
Using discrete event simulation for programming model exploration at extreme-scale: Macroscale components for the structural simulation toolkit (SST)
JJ Wilke, JP Kenny
Sandia National Laboratories, Tech. Rep. SAND2015-1027, 2015
102015
Silylidene (SiCH< sub> 2</sub>) and its isomers: Anharmonic rovibrational analyses for silylidene, silaacetylene, and silavinylidene
T Lu, Q Hao, JJ Wilke, Y Yamaguchi, DC Fang, HF Schaefer III
Journal of Molecular Structure 1009, 103-110, 2012
102012
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20