Projects per year
Fingerprint
Researcher collaborations from the last five years
Profiles
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Predictive Simulations in Strongly Correlated Electron Systems and Functional Nanostructures
Cummings, P. P. (CoPI), Schulthess, T. C. (PI), Alverz, G. G. (CoPI), Dagotto, E. (CoPI), Eisenbach, M. (CoPI), Kent, P. (CoPI), Maier, T. (CoPI), Stocks, M. M. (CoPI), Bernholc, J. (CoPI), Jarrell, M. (CoPI) & Landman, U. U. (CoPI)
01/1/07 → …
Project: Research
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High-Fidelity Numerical Simulations of Turbulent Combustion — Fundamental Science Towards Predictive Models
Smith, P. J. (CoPI), Chen, J. H. (PI), Sankaran, R. (CoPI), Hawkes, E. R. (CoPI), Yoo, C. S. (CoPI) & Lignell, D. D. (CoPI)
01/1/07 → …
Project: Research
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Impact of Stellar structure on Core-collapse Supernovae and their Ejecta
Lentz, E. J. (PI), Mezzacappa, A. (CoPI), Hix, W. R. (CoPI) & Messer II, B. (CoPI)
09/1/17 → 08/31/19
Project: Research
Research output
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Combined molecular and spin dynamics simulation of BCC iron with vacancy defects
Mudrick, M., Eisenbach, M., Perera, D. & Landau, D. P., Feb 7 2025, In: Journal of Chemical Physics. 162, 5, 054114.Research output: Contribution to journal › Article › peer-review
Open Access -
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation
Luan, L. G., Nebgen, B. T., Allen, A. E. A., Hamilton, B. W., Matin, S., Smith, J. S. & Messerly, R. A., 2025, (Accepted/In press) In: Journal of Chemical Information and Modeling.Research output: Contribution to journal › Article › peer-review
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Multi-level Monte Carlo methods in chemical applications with Lennard-Jones potentials and other landscapes with isolated singularities
Bocchinfuso, A., Rogers, D. M., Alves, C., Ramirez, J., Asthagiri, D. N., Beck, T. L. & Restrepo, J. M., Apr 2025, In: Computer Physics Communications. 309, 109477.Research output: Contribution to journal › Article › peer-review
Open Access
Datasets
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CuAu binary alloy with 32 atoms - LSMS-3 data
Lupo Pasini, M. (Creator) & Eisenbach, M. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Feb 15 2021
Dataset
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NbTa_BCC_SolidSolution_128atoms_VASP6
Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator), Yin, J. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Dec 5 2023
Dataset
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TaV_BCC_SolidSolution_128atoms_VASP6
Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator), Yin, J. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Dec 29 2023
Dataset