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Colleen Bertoni
Colleen Bertoni
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Bestätigte E-Mail-Adresse bei anl.gov
Titel
Zitiert von
Zitiert von
Jahr
Recent developments in the general atomic and molecular electronic structure system
GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ...
The Journal of Chemical Physics 152 (15), 154102, 2020
8582020
Efficient and accurate fragmentation methods
SR Pruitt, C Bertoni, KR Brorsen, MS Gordon
Accounts of chemical research 47 (9), 2786-2794, 2014
902014
Mechanisms underlying ion transport in lamellar block copolymer membranes
V Ganesan, V Pyramitsyn, C Bertoni, M Shah
Acs Macro Letters 1 (4), 513-518, 2012
842012
Perspective: Ab initio force field methods derived from quantum mechanics
P Xu, EB Guidez, C Bertoni, MS Gordon
The Journal of Chemical Physics 148 (9), 090901, 2018
722018
Analytic gradients for the effective fragment molecular orbital method
C Bertoni, MS Gordon
Journal of chemical theory and computation 12 (10), 4743-4767, 2016
292016
OpenMP application experiences: Porting to accelerated nodes
S Bak, C Bertoni, S Boehm, R Budiardja, BM Chapman, J Doerfert, ...
Parallel Computing 109, 102856, 2022
282022
Developing a computational chemistry framework for the exascale era
RM Richard, C Bertoni, JS Boschen, K Keipert, B Pritchard, EF Valeev, ...
Computing in Science & Engineering 21 (2), 48-58, 2018
192018
Scaling the hartree-fock matrix build on summit
GMJ Barca, DL Poole, JLG Vallejo, M Alkan, C Bertoni, AP Rendell, ...
SC20: International Conference for High Performance Computing, Networking …, 2020
182020
Performance Portability Evaluation of OpenCL Benchmarks across Intel and NVIDIA Platforms
C Bertoni, JH Kwack, T Applencourt, Y Ghadar, B Homerding, C Knight, ...
2020 IEEE International Parallel and Distributed Processing Symposium …, 2020
172020
Evaluation of Performance Portability of Applications and Mini-Apps across AMD, Intel and NVIDIA GPUs
JH Kwack, J Tramm, C Bertoni, Y Ghadar, B Homerding, E Rangel, ...
2021 International Workshop on Performance, Portability and Productivity in …, 2021
132021
RAM as a Network Managed Resource
W Allcock, B Bernardoni, C Bertoni, N Getty, J Insley, ME Papka, S Rizzi, ...
2018 IEEE International Parallel and Distributed Processing Symposium …, 2018
112018
Multipole moments in the effective fragment potential method
C Bertoni, LV Slipchenko, AJ Misquitta, MS Gordon
The Journal of Physical Chemistry A 121 (9), 2056-2067, 2017
112017
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part II)
B Chapman, B Pham, C Yang, C Daley, C Bertoni, D Kulkarni, ...
International Workshop on OpenMP, 81-95, 2021
102021
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Mode
S Pophale, D Oryspayev, B Chapman, B Pham, C Yang, C Daley, ...
Brookhaven National Lab.(BNL), Upton, NY (United States), 2021
62021
Performance of the RI-MP2 Fortran Kernel of GAMESS on GPUs via Directive-Based Offloading with Math Libraries
JH Kwack, C Bertoni, B Pham, J Larkin
International Workshop on Accelerator Programming Using Directives, 91-113, 2019
62019
Roofline-based performance efficiency of hpc benchmarks and applications on current generation of processor architectures
J Kwack, T Applencourt, C Bertoni, Y Ghadar, H Zheng, C Knight, ...
2019 Cray User Group Meeting 5, 2019
42019
Valence : A Massively Parallel Implementation of the Variational Subspace Valence Bond Method
GD Fletcher, C Bertoni, M Keçeli, M D'Mello
Journal of computational chemistry 40 (17), 1664-1673, 2019
32019
Exploring the performance of electron correlation method implementations on kove xpds
C Bertoni, W Allcock, B Toonen, S Pruitt, M Gordon
2017, poster presented at the 2017 International Conference for High …, 2017
12017
Lessons learned from improving portability and stability of two scientific software packages for current and towards exascale systems
C Bertoni, S Leang, L Carrington, G Fletcher, M Gordon, M Keceli, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Facing exascale and big data challenges with modular software, resilient workflows and productivity tools
M Keceli, C Bertoni, S Elliott, G Fletcher, Y Georgievski, W Green, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
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