Bobby G. Sumpter

Orcid: 0000-0001-6341-0355

According to our database1, Bobby G. Sumpter authored at least 15 papers between 1993 and 2023.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2023
Abisko: Deep codesign of an architecture for spiking neural networks using novel neuromorphic materials.
Int. J. High Perform. Comput. Appl., July, 2023

2021
Inverse design of two-dimensional materials with invertible neural networks.
CoRR, 2021

Automated and Autonomous Experiment in Electron and Scanning Probe Microscopy.
CoRR, 2021

Ensemble learning and iterative training (ELIT) machine learning: applications towards uncertainty quantification and automated experiment in atom-resolved microscopy.
CoRR, 2021

2019
A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations.
J. Comput. Chem., 2019

2017
An automated analysis workflow for optimization of force-field parameters using neutron scattering data.
J. Comput. Phys., 2017

2016
A Computational Workflow for Designing Silicon Donor Qubits.
CoRR, 2016

2009
Assessment of standard force field models against high-quality <i>ab initio</i> potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions.
J. Comput. Chem., 2009

2007
A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets.
J. Chem. Inf. Model., 2007

2002
Large-Scale Normal Coordinate Analysis on Distributed Memory Parallel Systems.
Int. J. High Perform. Comput. Appl., 2002

2001
Large-Scale Normal Coordinate Analysis for Molecular Structures.
SIAM J. Sci. Comput., 2001

2000
Computation of internal coordinates, derivatives, and gradient expressions: torsion and improper torsion.
J. Comput. Chem., 2000

1997
Treatment of multibody interactions in molecular simulations of systems with general bond networks.
J. Comput. Chem., 1997

1994
Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds.
J. Chem. Inf. Comput. Sci., 1994

1993
Neural Network Simulations on Massively Parallel Computers: Applications in Chemical Physics.
Proceedings of the New Trends in Neural Computation, 1993


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