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ORCIDBobby G. Sumpter
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2020 – today
- 2023
[j10]Jeffrey S. Vetter
, Prasanna Date, Farah Fahim, Shruti R. Kulkarni, Petro Maksymovych, A. Alec Talin, Marc González Tallada, Pruek Vanna-Iampikul, Aaron R. Young, David Brooks, Yu Cao, Gu-Yeon Wei, Sung Kyu Lim, Frank Liu, Matthew J. Marinella, Bobby G. Sumpter, Narasinga Rao Miniskar:
Abisko: Deep codesign of an architecture for spiking neural networks using novel neuromorphic materials. Int. J. High Perform. Comput. Appl. 37(3-4): 351-379 (2023)- 2021
- [i4]Ayana Ghosh, Bobby G. Sumpter, Ondrej Dyck, Sergei V. Kalinin, Maxim A. Ziatdinov:
Ensemble learning and iterative training (ELIT) machine learning: applications towards uncertainty quantification and automated experiment in atom-resolved microscopy. CoRR abs/2101.08449 (2021) - [i3]Sergei V. Kalinin, Maxim A. Ziatdinov, Jacob D. Hinkle, Stephen Jesse, Ayana Ghosh, Kyle P. Kelley, Andrew R. Lupini, Bobby G. Sumpter, Rama K. Vasudevan:
Automated and Autonomous Experiment in Electron and Scanning Probe Microscopy. CoRR abs/2103.12165 (2021) - [i2]Victor Fung, Jiaxin Zhang, Guoxiang Hu, Panchapakesan Ganesh, Bobby G. Sumpter:
Inverse design of two-dimensional materials with invertible neural networks. CoRR abs/2106.03013 (2021)
2010 – 2019
- 2019
- [j9]Tao Yu, Florence Fabunmi, Jingsong Huang, Bobby G. Sumpter, Jacek Jakowski:
A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations. J. Comput. Chem. 40(2): 532-542 (2019) - 2017
- [j8]Vickie E. Lynch, Jose M. Borreguero, Debsindhu Bhowmik, Panchapakesan Ganesh, Bobby G. Sumpter, Thomas Proffen, Monojoy Goswami:
An automated analysis workflow for optimization of force-field parameters using neutron scattering data. J. Comput. Phys. 340: 128-137 (2017) - 2016
- [i1]Travis S. Humble, M. Nance Ericson, Jacek Jakowski, Jingsong Huang, Charles L. Britton Jr., Franklin G. Curtis, Eugene F. Dumitrescu, Fahd A. Mohiyaddin, Bobby G. Sumpter:
A Computational Workflow for Designing Silicon Donor Qubits. CoRR abs/1608.01416 (2016)
2000 – 2009
- 2009
- [j7]C. David Sherrill, Bobby G. Sumpter, Mutasem O. Sinnokrot, Michael S. Marshall, Edward G. Hohenstein, Ross C. Walker, Ian R. Gould:
Assessment of standard force field models against high-quality ab initio potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions. J. Comput. Chem. 30(14): 2187-2193 (2009) - 2007
- [j6]Pamela L. Piotrowski, Bobby G. Sumpter, Heinrich V. Malling, John S. Wassom, Pinyi Lu, Robin A. Brothers, Gary A. Sega, Sheryl A. Martin, Morey Parang:
A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets. J. Chem. Inf. Model. 47(2): 676-685 (2007) - 2002
- [j5]Chao Yang, Padma Raghavan, Lloyd F. Arrowood, Donald W. Noid, Bobby G. Sumpter, Robert E. Tuzun:
Large-Scale Normal Coordinate Analysis on Distributed Memory Parallel Systems. Int. J. High Perform. Comput. Appl. 16(4): 409-424 (2002) - 2001
- [j4]Chao Yang, Barry W. Peyton, Donald W. Noid, Bobby G. Sumpter, Robert E. Tuzun:
Large-Scale Normal Coordinate Analysis for Molecular Structures. SIAM J. Sci. Comput. 23(2): 563-582 (2001) - 2000
- [j3]Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter:
Computation of internal coordinates, derivatives, and gradient expressions: torsion and improper torsion. J. Comput. Chem. 21(7): 553-561 (2000)
1990 – 1999
- 1997
- [j2]Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter:
Treatment of multibody interactions in molecular simulations of systems with general bond networks. J. Comput. Chem. 18(12): 1513-1522 (1997) - 1994
- [j1]Andrei A. Gakh, Elena G. Gakh, Bobby G. Sumpter, Donald W. Noid:
Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds. J. Chem. Inf. Comput. Sci. 34(4): 832-839 (1994) - 1993
- [c1]Bobby G. Sumpter, Raymond E. Guenther, Christian Halloy, Coral Getino, Donald W. Noid:
Neural Network Simulations on Massively Parallel Computers: Applications in Chemical Physics. IWANN 1993: 454-458
Coauthor Index
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