Michele Pavanello, Ph.D.

2010 Chemistry University of Arizona, Tucson, AZ 
Physical Chemistry, Molecular Physics
"Michele Pavanello"
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Ludwik Adamowicz grad student 2010 University of Arizona
 (Five years of theoretical and computational chemistry: From H3+ to DNA.)
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Genova A, Ceresoli D, Pavanello M. (2016) Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical. The Journal of Chemical Physics. 144: 234105
Ramos P, Pavanello M. (2016) Constrained subsystem density functional theory. Physical Chemistry Chemical Physics : Pccp
Krishtal A, Pavanello M. (2016) Revealing electronic open quantum systems with subsystem TDDFT. The Journal of Chemical Physics. 144: 124118
Hernández-Fernández F, Pavanello M, Visscher L. (2016) Effect of metallation, substituents and inter/intra-molecular polarization on electronic couplings for hole transport in stacked porphyrin dyads Physical Chemistry Chemical Physics. 18: 21122-21132
Genova A, Pavanello M. (2015) Exploiting the locality of periodic subsystem density-functional theory: efficient sampling of the Brillouin zone. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 495501
Sinha D, Pavanello M. (2015) Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method. The Journal of Chemical Physics. 143: 084120
Krishtal A, Ceresoli D, Pavanello M. (2015) Subsystem real-time time dependent density functional theory. The Journal of Chemical Physics. 142: 154116
Krishtal A, Sinha D, Genova A, et al. (2015) Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 183202
Ramos P, Papadakis M, Pavanello M. (2015) Performance of Frozen Density Embedding for Modeling Hole Transfer Reactions. The Journal of Physical Chemistry. B. 119: 7541-57
Ramos P, Pavanello M. (2014) Quantifying Environmental Effects on the Decay of Hole Transfer Couplings in Biosystems. Journal of Chemical Theory and Computation. 10: 2546-56
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