Projects per year
Fingerprint 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.
- 5 Similar Profiles
Density functional theory
Chemical Compounds
density functional theory
Physics & Astronomy
Discrete Fourier transforms
Chemical Compounds
embedding
Physics & Astronomy
potential energy
Physics & Astronomy
Molecules
Chemical Compounds
Charge transfer
Chemical Compounds
Electrons
Chemical Compounds
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 2014 2021
ELECTRON-RICH OXIDE SURFACES
National Science Foundation (National Science Foundation (NSF))
8/15/17 → 7/31/20
Project: Research project
Oxides
Aluminum Oxide
Electrons
Doping (additives)
Metals
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
CAREER: CDS&E: NONLOCAL AND PERIODIC DENSITY EMBEDDING
National Science Foundation (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 (National Science Foundation (NSF))
9/1/14 → 8/31/15
Project: Research project
Israel
France
planning
electron transfer
excitons
Research Output 2005 2019
Ab Initio Structure and Dynamics of CO2 at Supercritical Conditions
Mi, W., Ramos, P., Maranhao, J. & Pavanello, M., Jan 1 2019, (Accepted/In press) In : Journal of Physical Chemistry Letters. p. 7554-7559 6 p.Research output: Contribution to journal › Article
Environmental technology
Density functional theory
Fluids
density functional theory
fluids
3
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
1
Citation
(Scopus)
Orbital-free density functional theory correctly models quantum dots when asymptotics, nonlocality, and nonhomogeneity are accounted for
Mi, W. & Pavanello, M., Jul 8 2019, In : Physical Review B. 100, 4, 041105.Research output: Contribution to journal › Article
Semiconductor quantum dots
Density functional theory
Carrier concentration
inhomogeneity
quantum dots
Tuning the electronic properties of the γ-Al2O3 surface by phosphorus doping
Acikgoz, M., Khoshi, M. R., Harrell, J., Genova, A., Chawla, R., He, H. & Pavanello, M., Jan 1 2019, In : Physical Chemistry Chemical Physics. 21, 27, p. 15080-15088 9 p.Research output: Contribution to journal › Article
Electronic properties
Phosphorus
phosphorus
Tuning
tuning
3
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