Projects per year
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Dive into the research topics where Computational Chemistry and Nanomaterial 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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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) & Pdai@riceedu, P. D. (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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Adsorption of hydroxamic acid ligands for improved extraction of rare earth elements from monazite ores
Zhou, M., Gibson, L. D., Stamberga, D., Islam, M. F., Popovs, I., Einkauf, J. D., Thiele, N. A., Sacci, R. L., Doughty, B., Bocharova, V. & Bryantsev, V. S., Jan 15 2026, In: Journal of Colloid and Interface Science. 702, 138887.Research output: Contribution to journal › Article › peer-review
4 Scopus citations -
Altered morphology and diffusivity of water confined in MXenes: Machine learning–accelerated computations combined with experiments
Tang, J., Sun, W., Chen, C., Bannenberg, L., Wang, X., Zhu, T., Sun, L., Wang, J., Ying, G., Xie, Y., Osti, N. C., Kolesnikov, A. I., Mamontov, E., Tyagi, M., Huang, J. & Kent, P. R. C., Mar 25 2026, In: Science Advances. 12, 13, eadz1780.Research output: Contribution to journal › Article › peer-review
Open Access2 Scopus citations -
A Panoramic View of MXenes via an Atomic Coordination-Based Design Strategy
Oyeniran, N., Chowdhury, O., Hu, C., Dumitrica, T., Ganesh, P., Jakowski, J., Chen, Z., Unocic, R. R., Naguib, M., Meunier, V., Gogotsi, Y., Kent, P. R. C., Sumpter, B. G. & Huang, J., Jan 19 2026, In: Advanced Functional Materials. 36, 6, e08047.Research output: Contribution to journal › Article › peer-review
7 Scopus citations
Datasets
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Novel Boron Nitride MXenes as Promising Energy Storage Materials
Muraleedharan, M. G. (Creator) & Kent, P. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Jun 14 2022
DOI: 10.13139/ORNLNCCS/1871170
Dataset
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Dataset for Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: a benchmark Quantum Monte Carlo study
Washburn, L. (Creator), Sedova, A. (Creator) & Kent, P. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), 2026
DOI: 10.13139/ornlnccs/3383024
Dataset
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ORNL_AISD_NiNb
Jung, G. (Creator), Lupo Pasini, M. (Creator) & Irle, S. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Oct 11 2022
Dataset