Michele Pavanello, Ph.D.

Affiliations: 
2010 Chemistry University of Arizona, Tucson, AZ 
Area:
Physical Chemistry, Molecular Physics
Google:
"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.)
BETA: Related publications

Publications

You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

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
See more...