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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Joint Computational and Neutron/X-ray Scattering Studies of High-Temperature Superconductors
Maier, T. (PI) & Dai, P. (CoPI)
09/1/13 → 08/31/17
Project: Research
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Next Generation Multi-Scale Quantum Simul. Software for Strongly Corr. Materials
Maier, T. (PI)
09/15/06 → 06/30/11
Project: Research
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Software stewardship and advancement of a high-performance computing scientific application: QMCPACK
Godoy, W. F., Hahn, S. E., Walsh, M. M., Fackler, P. W., Krogel, J. T., Doak, P. W., Kent, P. R. C., Correa, A. A., Luo, Y. & Dewing, M., Feb 2025, In: Future Generation Computer Systems. 163, 107502.Research output: Contribution to journal › Article › peer-review
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Active causal learning for decoding chemical complexities with targeted interventions
Fox, Z. R. & Ghosh, A., Sep 1 2024, In: Machine Learning: Science and Technology. 5, 3, 035056.Research output: Contribution to journal › Article › peer-review
Open Access -
Alkali cation stabilization of defects in 2D MXenes at ambient and elevated temperatures
Wyatt, B. C., Boebinger, M. G., Hood, Z. D., Adhikari, S., Michałowski, P. P., Nemani, S. K., Muraleedharan, M. G., Bedford, A., Highland, W. J., Kent, P. R. C., Unocic, R. R. & Anasori, B., Dec 2024, In: Nature Communications. 15, 1, 6353.Research output: Contribution to journal › Article › peer-review
Open Access
Datasets
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Novel Boron Nitride MXenes as Promising Energy Storage Materials
Muraleedharan, M. G. (Creator) & Kent, P. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jun 14 2022
DOI: 10.13139/ORNLNCCS/1871170
Dataset
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GDB-9-Ex: Quantum chemical prediction of UV/Vis absorption spectra for GDB-9 molecules
Lupo Pasini, M. (Creator), Yoo, P. (Creator), Mehta, K. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 22 2022
Dataset
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ORNL_AISD_NiNb
Jung, G. (Creator), Lupo Pasini, M. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Oct 11 2022
Dataset