Projects per year
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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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CAREER: CDS&E: NONLOCAL AND PERIODIC DENSITY EMBEDDING
National Science Foundation (National Science Foundation (NSF))
12/1/16 → 11/30/21
Project: Research project
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ELECTRON-RICH OXIDE SURFACES
National Science Foundation (National Science Foundation (NSF))
8/15/17 → 7/31/20
Project: Research project
Research output
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DFTpy: An efficient and object-oriented platform for orbital-free DFT simulations
Shao, X., Jiang, K., Mi, W., Genova, A. & Pavanello, M., Jan 1 2021, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 11, 1, e1482.Research output: Contribution to journal › Review article › peer-review
7 Scopus citations -
Efficient DFT solver for nanoscale simulations and beyond
Shao, X., Mi, W. & Pavanello, M., May 6 2021, In: Journal of Physical Chemistry Letters. 12, 17, p. 4134-4139 6 p.Research output: Contribution to journal › Article › peer-review
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GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals
Shao, X., Mi, W. & Pavanello, M., Jun 8 2021, In: Journal of Chemical Theory and Computation. 17, 6, p. 3455-3461 7 p.Research output: Contribution to journal › Article › peer-review
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Nonadiabatic couplings from a variational excited state method based on constrained DFT
Ramos, P. & Pavanello, M., Jan 7 2021, In: Journal of Chemical Physics. 154, 1, 014110.Research output: Contribution to journal › Article › peer-review
Open Access -
Capturing multireference excited states by constrained-density-functional theory
Karpinski, N., Ramos, P. & Pavanello, M., Mar 2020, In: Physical Review A. 101, 3, 032510.Research output: Contribution to journal › Article › peer-review
1 Scopus citations