Projects per year
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- 10 Similar Profiles
Density functional theory
Chemical Compounds
density functional theory
Physics & Astronomy
Discrete Fourier transforms
Chemical Compounds
embedding
Physics & Astronomy
potential energy
Physics & Astronomy
Charge transfer
Chemical Compounds
Electrons
Chemical Compounds
Molecules
Chemical Compounds
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 2014 2021
Career: Cds&E: Nonlocal And Periodic Density Embedding
National Science Foundation (NSF)
12/1/16 → 11/30/21
Project: Research project
Discrete Fourier transforms
Computational chemistry
Quantum chemistry
Photovoltaic cells
Quantum theory
Electron-Rich Oxide Surfaces
National Science Foundation (NSF)
8/1/15 → 7/31/20
Project: Research project
Oxides
Aluminum Oxide
Electrons
Catalysis
Metals
Cnic: Us-France-Israel Planning Visit For A Theory-Experiment Collaboration On Electron And Exciton Transfer From Molecular To Nanoscale
National Science Foundation (NSF)
9/1/14 → 8/31/15
Project: Research project
Israel
France
planning
electron transfer
excitons
Research Output 2005 2019
2
Citations
(Scopus)
Charged-cell periodic DFT simulations via an impurity model based on density embedding: Application to the ionization potential of liquid water
Tölle, J., Severo Pereira Gomes, A., Ramos, P. & Pavanello, M., Jan 5 2019, In : International Journal of Quantum Chemistry. 119, 1, e25801.Research output: Contribution to journal › Article
Ionization potential
Discrete Fourier transforms
ionization potentials
embedding
Impurities
2
Citations
(Scopus)
Low-lying excited states by constrained DFT
Ramos, P. & Pavanello, M., Apr 14 2018, In : Journal of Chemical Physics. 148, 14, 144103.Research output: Contribution to journal › Article
Excited states
Discrete Fourier transforms
excitation
Density functional theory
intersections
2
Citations
(Scopus)
Models of Surface Morphology and Electronic Structure of Indium Oxide and Indium Tin Oxide for Several Surface Hydroxylation Levels
Harrell, J., Acikgoz, M., Lieber Sasson, H., Visoly-Fisher, I., Genova, A. & Pavanello, M., Jan 11 2018, In : Journal of Physical Chemistry C. 122, 1, p. 584-595 12 p.Research output: Contribution to journal › Article
Hydroxylation
Tin oxides
indium oxides
Indium
tin oxides
7
Citations
(Scopus)
Nonlocal kinetic energy functionals by functional integration
Mi, W., Genova, A. & Pavanello, M., May 14 2018, In : Journal of Chemical Physics. 148, 18, 184107.Research output: Contribution to journal › Article
functional integration
functionals
Kinetic energy
kinetic energy
density functional theory
Probing charge transfer dynamics in a single iron tetraphenylporphyrin dyad adsorbed on an insulating surface
Ramos, P., Mankarious, M., Pavanello, M. & Riedel, D., Oct 7 2018, In : Nanoscale. 10, 37, p. 17603-17616 14 p.Research output: Contribution to journal › Article
Charge transfer
Iron
Molecules
iron tetraphenylporphyrin
Excited states