Michele Pavanello, Ph.D.
Affiliations: | 2010 | Chemistry | University of Arizona, Tucson, AZ |
Area:
Physical Chemistry, Molecular PhysicsGoogle:
"Michele Pavanello"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Ludwik Adamowicz | grad student | 2010 | University of Arizona | |
| (Five years of theoretical and computational chemistry: From H3+ to DNA.) | ||||
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Publications
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| Moldabekov Z, Schwalbe S, Böhme MP, et al. (2023) Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen. Journal of Chemical Theory and Computation |
| Martinez B JA, Shao X, Jiang K, et al. (2023) Entropy is a good approximation to the electronic (static) correlation energy. The Journal of Chemical Physics. 159 |
| Chakravarty C, Aksu H, Martinez B JA, et al. (2022) Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent. The Journal of Physical Chemistry Letters. 4849-4855 |
| Ramos P, Pavanello M. (2021) Nonadiabatic couplings from a variational excited state method based on constrained DFT. The Journal of Chemical Physics. 154: 014110 |
| Ramos P, Pavanello M. (2020) Erratum: "Low-lying excited states by constrained DFT" [J. Chem. Phys. 148, 144103 (2018)]. The Journal of Chemical Physics. 152: 109902 |
| Karpinski N, Ramos P, Pavanello M. (2020) Capturing multireference excited states by constrained-density-functional theory Physical Review A. 101 |
| Mi W, Pavanello M. (2019) Nonlocal Subsystem Density Functional Theory. The Journal of Physical Chemistry Letters. 272-279 |
| Mi W, Ramos P, Maranhao J, et al. (2019) Ab-Initio Structure and Dynamics of CO at Supercritical Conditions. The Journal of Physical Chemistry Letters |
| Acikgoz M, Khoshi MR, Harrell J, et al. (2019) Tuning the electronic properties of the γ-AlO surface by phosphorus doping. Physical Chemistry Chemical Physics : Pccp. 21: 15080-15088 |
| Mi W, Pavanello M. (2019) Orbital-free density functional theory correctly models quantum dots when asymptotics, nonlocality, and nonhomogeneity are accounted for Physical Review B. 100 |