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Dive into the research topics where Michele Pavanello is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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Boosting Density Embedding with Machine Learning and Nonstandard Workflows
Pavanello, M. (PI)
5/1/22 → 4/30/26
Project: Research
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MRI: Acquisition of a High-Performance Computing Cluster for Research and Teaching at Rutgers University-Newark
Pavanello, M. (PI), von Oehsen, J. (CoPI), Maitra, N. (CoPI), Shafto, P. (CoPI) & Cole, M. (CoPI)
10/1/21 → 9/30/24
Project: Research
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Collaborative Research: Elements: Flexible & Open-Source Models for Materials and Devices
Pavanello, M. (PI)
11/1/19 → 10/31/23
Project: Research
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Electron and Electron-Nuclear Dynamics of Open Quantum Subsystems
Pavanello, M. (PI)
9/1/17 → 3/31/22
Project: Research
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Nonlocal vs local pseudopotentials affect kinetic energy kernels in orbital-free DFT
Moldabekov, Z. A., Shao, X., Pavanello, M., Vorberger, J. & Dornheim, T., Mar 31 2025, In: Electronic Structure. 7, 1, 015006.Research output: Contribution to journal › Article › peer-review
Open Access -
Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen
Moldabekov, Z., Schwalbe, S., Böhme, M. P., Vorberger, J., Shao, X., Pavanello, M., Graziani, F. R. & Dornheim, T., Jan 9 2024, In: Journal of Chemical Theory and Computation. 20, 1, p. 68-78 11 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Effective Wang-Teter kernels for improved orbital-free density functional theory simulations
Rios-Vargas, V., Shao, X., Trickey, S. B. & Pavanello, M., Aug 15 2024, In: Physical Review B. 110, 8, 085129.Research output: Contribution to journal › Article › peer-review
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Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene
Zhang, Q., Shao, X., Li, W., Mi, W., Pavanello, M. & Akimov, A. V., Sep 25 2024, In: Journal of Physics Condensed Matter. 36, 38, 385901.Research output: Contribution to journal › Article › peer-review
Open Access -
The Analysis of Electron Densities: From Basics to Emergent Applications
Koch, D., Pavanello, M., Shao, X., Ihara, M., Ayers, P. W., Matta, C. F., Jenkins, S. & Manzhos, S., Nov 27 2024, In: Chemical Reviews. 124, 22, p. 12661-12737 77 p.Research output: Contribution to journal › Review article › peer-review