Projects per year
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Dive into the research topics where Advanced Computing for Chemistry and Mat is active. These topic labels come from the works of this organization's members. Together they form a unique fingerprint.
Researcher collaborations from the last five years
Based on publications and projects (not datasets). Dive into details by clicking on the dots or
Profiles
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Ana Or Ana Maria De Carvalho Vicente Da Cunha
- Advanced Computing for Chemistry and Mat - R&D Associate
Person
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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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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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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
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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 -
Designing Physicochemically-Ordered Interphases for High-Performance Composites
Gupta, S., Sohail, T., Checa, M., Toomey, M. D., Kearney, L. T., Chahal, R., Rohewal, S. S., Kanbargi, N., Ghosh, S., Collins, L., McConnell, D., Ivanov, I. N., Naskar, A. K. & Bowland, C. C., May 9 2025, In: Advanced Functional Materials. 35, 19, 2502972.Research output: Contribution to journal › Article › peer-review
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Identification of a novel fibroblast growth factor receptor-agonistic peptide and its effect on diabetic wound healing
Farooq, M., Hwang, M., Khan, A. W., Batool, M., Ahmad, B., Kim, W., Kim, M. S. & Choi, S., Mar 1 2025, In: Life Sciences. 364, 123432.Research output: Contribution to journal › Article › peer-review
Datasets
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TaZr_BCC_SolidSolution_128atoms_VASP6
Samolyuk, G. (Creator), Eisenbach, M. (Creator), Lupo Pasini, M. (Creator), Choi, J. Y. (Creator), Rogers, D. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Oct 30 2024
Dataset
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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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FePt 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