Jeremiah J. Wilke

Most-cited papers

1. Psi4: an open‐source ab initio electronic structure program

   J. Turney, Andrew C. Simmonett, Robert M. Parrish, E. Hohenstein +16 more

   20121,072 citations

   Semantic Scholar

   Save

2. Kokkos 3: Programming Model Extensions for the Exascale Era

   C. Trott, D. Lebrun-Grandié, Daniel Arndt, Jan Ciesko +16 more

   2022IEEE Transactions on Parallel and Distributed Systems418 citations Open access

   Semantic Scholar

   Save

3. Conformers of Gaseous Cysteine.

   Jeremiah J. Wilke, Maria C. Lind, H. Schaefer, A. Császár +1 more

   2009Journal of Chemical Theory and Computation124 citations

   Semantic Scholar

   Save

4. Extreme Heterogeneity 2018 - Productive Computational Science in the Era of Extreme Heterogeneity: Report for DOE ASCR Workshop on Extreme Heterogeneity

   J. Vetter, R. Brightwell, M. Gokhale, P. McCormick +27 more

   201888 citations Open access

   Semantic Scholar

   Save

5. Flexfly: Enabling a Reconfigurable Dragonfly through Silicon Photonics

   K. Wen, P. Samadi, S. Rumley, Christine P. Chen +4 more

   2016International Conference for High Performance Computing, Networking, Storage and Analysis74 citations Open access

   Semantic Scholar

   Save

6. Origin of the SN2 benzylic effect.

   B. Galabov, V. Nikolova, Jeremiah J. Wilke, H. Schaefer +1 more

   2008Journal of the American Chemical Society62 citations

   Semantic Scholar

   Save

7. Kokkos Kernels: Performance Portable Sparse/Dense Linear Algebra and Graph Kernels

   S. Rajamanickam, Seher Acer, Luc Berger-Vergiat, V. Dang +6 more

   2021arXiv.org52 citations

   Semantic Scholar

   Save

8. Establishment of the C(2)H(5)+O(2) reaction mechanism: a combustion archetype.

   Jeremiah J. Wilke, W. Allen, H. Schaefer

   2008Journal of Chemical Physics43 citations

   Semantic Scholar

   Save

9. ASC ATDM Level 2 Milestone #5325: Asynchronous Many-Task Runtime System Analysis and Assessment for Next Generation Platforms

   Gavin M. Baker, M. Bettencourt, S. Bova, K. Franko +32 more

   201531 citations Open access

   Semantic Scholar

   Save

10. APHiD: Hierarchical Task Placement to Enable a Tapered Fat Tree Topology for Lower Power and Cost in HPC Networks

    George Michelogiannakis, K. Ibrahim, J. Shalf, Jeremiah J. Wilke +2 more

    2017IEEE/ACM International Symposium on Cluster, Cloud and Internet Computing28 citations Open access

    Semantic Scholar

    Save

11. Density cumulant functional theory: first implementation and benchmark results for the DCFT-06 model.

    Andrew C. Simmonett, Jeremiah J. Wilke, H. Schaefer, W. Kutzelnigg

    2010Journal of Chemical Physics26 citations Open access

    Semantic Scholar

    Save

12. The Beryllium tetramer: profiling an elusive molecule.

    Peter N Ascik, Jeremiah J. Wilke, Andrew C. Simmonett, Y. Yamaguchi +1 more

    2011Journal of Chemical Physics23 citations

    Semantic Scholar

    Save

13. Analytic gradients for density cumulant functional theory: the DCFT-06 model.

    A. Sokolov, Jeremiah J. Wilke, Andrew C. Simmonett, H. Schaefer

    2012Journal of Chemical Physics19 citations

    Semantic Scholar

    Save

14. Design Space Exploration of the Dragonfly Topology

    Min Yee Teh, Jeremiah J. Wilke, K. Bergman, S. Rumley

    2017ISC High Performance17 citations

    Semantic Scholar

    Save

15. Validation and Uncertainty Assessment of Extreme-Scale HPC Simulation through Bayesian Inference

    Jeremiah J. Wilke, K. Sargsyan, J. Kenny, B. Debusschere +2 more

    2013European Conference on Parallel Processing16 citations Open access

    Semantic Scholar

    Save

16. Compiler-Assisted Source-to-Source Skeletonization of Application Models for System Simulation

    Jeremiah J. Wilke, J. Kenny, Samuel Knight, S. Rumley

    2018ISC High Performance15 citations Open access

    Semantic Scholar

    Save

17. Silylidene (SiCH2) and its isomers: Anharmonic rovibrational analyses for silylidene, silaacetylene, and silavinylidene

    Tong-Xiang Lu, Q. Hao, Jeremiah J. Wilke, Y. Yamaguchi +2 more

    201215 citations

    Semantic Scholar

    Save

18. Opportunities and limitations of Quality-of-Service in Message Passing applications on adaptively routed Dragonfly and Fat Tree networks

    Jeremiah J. Wilke, J. Kenny

    2020IEEE International Conference on Cluster Computing14 citations

    Semantic Scholar

    Save

19. A laboratory and theoretical study of protonated carbon disulfide, HSCS+.

    Michael C. McCarthy, P. Thaddeus, Jeremiah J. Wilke, H. Schaefer

    2009Journal of Chemical Physics13 citations

    Semantic Scholar

    Save

20. Topology-Aware Performance Optimization and Modeling of Adaptive Mesh Refinement Codes for Exascale

    Cy P. Chan, J. Bachan, J. Kenny, Jeremiah J. Wilke +3 more

    20162016 First International Workshop on Communication Optimizations in HPC (COMHPC)12 citations Open access

    Semantic Scholar

    Save

21. The subtleties of explicitly correlated Z-averaged perturbation theory: choosing an R12 method for high-spin open-shell molecules.

    Jeremiah J. Wilke, H. Schaefer

    2009Journal of Chemical Physics12 citations

    Semantic Scholar

    Save

22. Resonance bonding patterns of peroxide chemistry: cyclic three-center hyperbonding in "phosphadioxirane" intermediates.

    Jeremiah J. Wilke, F. Weinhold

    2006Journal of the American Chemical Society11 citations

    Semantic Scholar

    Save

23. Explicitly correlated atomic orbital basis second order Møller-Plesset theory.

    D. Hollman, Jeremiah J. Wilke, H. Schaefer

    2013Journal of Chemical Physics10 citations

    Semantic Scholar

    Save

24. Aluminum foils: the contrasting characters of hyperconjugation and steric repulsion in aluminum dimetallocenes.

    K. Compaan, Jeremiah J. Wilke, H. Schaefer

    2011Journal of the American Chemical Society10 citations

    Semantic Scholar

    Save

25. Conformational distinguishability of medium cycloalkanes in crystals via inelastic neutron scattering.

    N. Verdal, Jeremiah J. Wilke, B. Hudson

    2006Journal of Physical Chemistry A10 citations

    Semantic Scholar

    Save

26. Anharmonic rovibrational analysis for disilacyclopropenylidene (Si2CH2).

    Tong-Xiang Lu, Jeremiah J. Wilke, Y. Yamaguchi, H. Schaefer

    2011Journal of Chemical Physics8 citations

    Semantic Scholar

    Save

27. The Pitfalls of Provisioning Exascale Networks: A Trace Replay Analysis for Understanding Communication Performance

    J. Kenny, K. Sargsyan, Samuel Knight, George Michelogiannakis +1 more

    2018ISC High Performance7 citations Open access

    Semantic Scholar

    Save

28. Using Discrete Event Simulation for Programming Model Exploration at Extreme-Scale: Macroscale Components for the Structural Simulation Toolkit (SST)

    Jeremiah J. Wilke, J. Kenny

    20157 citations Open access

    Semantic Scholar

    Save

29. Evaluating Trade-offs in Potential Exascale Interconnect Technologies

    K. Hemmert, R. Bair, Abhinav Bhatale, Taylor L. Groves +6 more

    20186 citations Open access

    Semantic Scholar

    Save

30. Application Modeling for Scalable Simulation of Massively Parallel Systems

    E. Anger, D. Dechev, G. Hendry, Jeremiah J. Wilke +1 more

    20152015 IEEE 17th International Conference on High Performance Computing and Communications, 2015 IEEE 7th International Symposium on Cyberspace Safety and Security, and 2015 IEEE 12th International Conference on Embedded Software and Systems6 citations Open access

    Semantic Scholar

    Save

31. 1-Germavinylidene (Ge═CH2), germyne (HGeCH), and 2-germavinylidene (H2Ge═C) molecules and isomerization reactions among them: anharmonic rovibrational analyses.

    Q. Hao, Tong-Xiang Lu, Jeremiah J. Wilke, Andrew C. Simmonett +3 more

    2012Journal of Physical Chemistry A6 citations

    Semantic Scholar

    Save

32. Anharmonic vibrational analyses for the 1-silacyclopropenylidene molecule and its three isomers

    Qunyan Wu, Q. Hao, Jeremiah J. Wilke, Andrew C. Simmonett +4 more

    20125 citations

    Semantic Scholar

    Save

33. An Evaluation of Ethernet Performance for Scientific Workloads

    J. Kenny, Jeremiah J. Wilke, C. Ulmer, Gavin M. Baker +2 more

    2020Workshop on Innovating the Network for Data-Intensive Science4 citations Open access

    Semantic Scholar

    Save

34. Supercomputer in a Laptop: Distributed Application and Runtime Development via Architecture Simulation

    Samuel Knight, J. Kenny, Jeremiah J. Wilke

    2018ISC High Performance4 citations Open access

    Semantic Scholar

    Save

35. DARMA 0.3.0-alpha Specification

    Jeremiah J. Wilke, D. Hollman, N. Slattengren, J. Lifflander +4 more

    20164 citations Open access

    Semantic Scholar

    Save

36. The DARMA Approach to Asynchronous Many-Task Programming.

    Jeremiah J. Wilke, J. Bennett, D. Hollman, N. Slattengren +4 more

    20164 citations

    Semantic Scholar

    Save

37. Metaprogramming-Enabled Parallel Execution of Apparently Sequential C++ Code

    D. Hollman, J. Bennett, H. Kolla, J. Lifflander +2 more

    2016International Workshop on Extreme Scale Programming Models and Middleware4 citations Open access

    Semantic Scholar

    Save

38. Spin-Restriction in Explicitly Correlated Coupled Cluster Theory: The Z-Averaged CCSD(2)R12 Approach.

    Jeremiah J. Wilke, H. Schaefer

    2011Journal of Chemical Theory and Computation4 citations

    Semantic Scholar

    Save

39. Anharmonic Vibrational Analysis for the Propadienylidene Molecule (H2C═C═C:).

    Qunyan Wu, Q. Hao, Jeremiah J. Wilke, Andrew C. Simmonett +4 more

    2010Journal of Chemical Theory and Computation4 citations

    Semantic Scholar

    Save

40. Latency-avoiding Dynamic Optical Circuit Prefetching Using Application-specific Predictors

    K. Wen, S. Rumley, Jeremiah J. Wilke, K. Bergman

    20153 citations

    Semantic Scholar

    Save

41. Extreme-Scale Viability of Collective Communication for Resilient Task Scheduling and Work Stealing

    Jeremiah J. Wilke, J. Bennett, H. Kolla, K. Teranishi +2 more

    20142014 44th Annual IEEE/IFIP International Conference on Dependable Systems and Networks3 citations Open access

    Semantic Scholar

    Save

42. Coordination Languages and MPI Perturbation Theory: The FOX Tuple Space Framework for Resilience

    Jeremiah J. Wilke

    20142014 IEEE International Parallel & Distributed Processing Symposium Workshops3 citations Open access

    Semantic Scholar

    Save

43. SST/macro: A coarse-grained simulation workflow.

    G. Hendry, Jeremiah J. Wilke, J. Kenny, K. Sargsyan +2 more

    20133 citations

    Semantic Scholar

    Save

44. Design space exploration of the Dragonfly topology

    Min Yee Teh, Jeremiah J. Wilke, K. Bergman, S'ebastien Rumley

    3 citations

    Semantic Scholar

    Save

45. Challenges and opportunities in system-level evaluation of photonics

    George Michelogiannakis, Jeremiah J. Wilke, Min Yee Teh, M. Glick +2 more

    2019OPTO2 citations

    Semantic Scholar

    Save

46. Lessons Learned from Porting the MiniAero Application to Charm

    D. Hollman, J. Bennett, Jeremiah J. Wilke, H. Kolla +6 more

    20152 citations

    Semantic Scholar

    Save

47. Enabling Runtime/Applicatioon Co-Design through Common Concurrency Concepts.

    Jeremiah J. Wilke, J. Bennett, R. Clay

    20152 citations

    Semantic Scholar

    Save

48. Dharma: Distributed asynchronous adaptive resilient management of applications.

    J. Bennett, Jeremiah J. Wilke, N. Slattengren, K. Teranishi +4 more

    20152 citations

    Semantic Scholar

    Save

49. Tools and Techniques for High Performance Computing: Selected Workshops, HUST, SE-HER and WIHPC, Held in Conjunction with SC 2019, Denver, CO, USA, November 17–18, 2019, Revised Selected Papers

    Samuel Knight, Jeremiah J. Wilke, T. Gamblin

    2020HUST/SE-HER/WIHPC@SC1 citations

    Semantic Scholar

    Save

50. Bringing minimal routing back to HPC through silicon photonics: a study of "flexfly" architectures with the structural simulation toolkit (SST)

    Jeremiah J. Wilke

    2017AISTECS@HiPEAC1 citations Open access

    Semantic Scholar

    Save