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Jeremiah Wilke
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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
11052012
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
1462009
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
852016
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
722008
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
532008
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2, 556 (2012)
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
37
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
352017
WIREs Comput. Mol. Sci. 2, 556 (2012)
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
34
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
312010
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
252011
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
232012
Compiler-assisted source-to-source skeletonization of application models for system simulation
JJ Wilke, JP Kenny, S Knight, S Rumley
International Conference on High Performance Computing, 123-143, 2018
222018
Design Space Exploration of the Dragonfly Topology
MY Teh, JJ Wilke, K Bergman, S Rumley
International Conference on High Performance Computing, 57-74, 2017
212017
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
192013
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
192006
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
182016
Explicitly correlated atomic orbital basis second order Mřller–Plesset theory
DS Hollman, JJ Wilke, HF Schaefer
The Journal of chemical physics 138 (6), 064107, 2013
162013
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
152012
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
142009
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
132011
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