| 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 | 921 | 2020 |
| Efficient and accurate fragmentation methods SR Pruitt, C Bertoni, KR Brorsen, MS Gordon Accounts of chemical research 47 (9), 2786-2794, 2014 | 91 | 2014 |
| 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 | 84 | 2012 |
| 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 | 73 | 2018 |
| OpenMP application experiences: Porting to accelerated nodes S Bak, C Bertoni, S Boehm, R Budiardja, BM Chapman, J Doerfert, ... Parallel Computing 109, 102856, 2022 | 33 | 2022 |
| Analytic gradients for the effective fragment molecular orbital method C Bertoni, MS Gordon Journal of chemical theory and computation 12 (10), 4743-4767, 2016 | 29 | 2016 |
| 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 | 20 | 2020 |
| 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 | 19 | 2018 |
| 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 | 18 | 2021 |
| 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 | 18 | 2020 |
| 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 | 11 | 2021 |
| 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 | 11 | 2018 |
| 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 | 11 | 2017 |
| 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 | 7 | 2019 |
| 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 | 6 | 2021 |
| 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 | 5 | 2019 |
| 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 | 3 | 2019 |
| 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 | 1 | 2017 |
| 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 |
