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Alessandro Genova
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Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions
A Krishtal, D Sinha, A Genova, M Pavanello
Journal of Physics: Condensed Matter 27 (18), 183202, 2015
912015
Nonlocal kinetic energy functionals by functional integration
W Mi, A Genova, M Pavanello
The Journal of Chemical Physics 148 (18), 2018
732018
Periodic subsystem density-functional theory
A Genova, D Ceresoli, M Pavanello
The Journal of Chemical Physics 141 (17), 2014
462014
Dissociation and recombination of D2 on Cu (111): Ab initio molecular dynamics calculations and improved analysis of desorption experiments
F Nattino, A Genova, M Guijt, AS Muzas, C Díaz, DJ Auerbach, GJ Kroes
The Journal of Chemical Physics 141 (12), 2014
462014
eQE: An open‐source density functional embedding theory code for the condensed phase
A Genova, D Ceresoli, A Krishtal, O Andreussi, RA DiStasio Jr, ...
International Journal of Quantum Chemistry 117 (16), e25401, 2017
422017
DFTpy: An efficient and object‐oriented platform for orbital‐free DFT simulations
X Shao, K Jiang, W Mi, A Genova, M Pavanello
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (1), e1482, 2021
392021
Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical
A Genova, D Ceresoli, M Pavanello
The Journal of Chemical Physics 144 (23), 2016
322016
Exploiting the locality of periodic subsystem density-functional theory: efficient sampling of the Brillouin zone
A Genova, M Pavanello
Journal of Physics: Condensed Matter 27 (49), 495501, 2015
322015
Real-time 3D analysis during electron tomography using tomviz
J Schwartz, C Harris, J Pietryga, H Zheng, P Kumar, A Visheratina, ...
Nature communications 13 (1), 4458, 2022
162022
eQE 2.0: Subsystem DFT beyond GGA functionals
W Mi, X Shao, A Genova, D Ceresoli, M Pavanello
Computer Physics Communications 269, 108122, 2021
152021
Tomviz: open source platform connecting image processing pipelines to GPU accelerated 3D visualization
MD Hanwell, CJ Harris, A Genova, J Schwartz, Y Jiang, R Hovden
Microscopy and Microanalysis 25 (S2), 408-409, 2019
152019
Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water
SK P, A Genova, M Pavanello
The Journal of Physical Chemistry Letters, 2017
15*2017
Open Chemistry, JupyterLab, REST, and quantum chemistry
MD Hanwell, C Harris, A Genova, M Haghighatlari, M El Khatib, P Avery, ...
International Journal of Quantum Chemistry 121 (1), e26472, 2021
142021
Tuning the electronic properties of the γ-Al 2 O 3 surface by phosphorus doping
M Acikgoz, MR Khoshi, J Harrell, A Genova, R Chawla, H He, ...
Physical Chemistry Chemical Physics 21 (27), 15080-15088, 2019
122019
Models of surface morphology and electronic structure of indium oxide and indium tin oxide for several surface hydroxylation levels
J Harrell, M Acikgoz, H Lieber Sasson, I Visoly-Fisher, A Genova, ...
The Journal of Physical Chemistry C 122 (1), 584-595, 2018
62018
Tomviz: An Open-Source Platform for Electron Tomography
J Schwartz, C Harris, J Pietryga, J Rowell, B Major, P Avery, U Ayachit, ...
Microscopy and Microanalysis 28 (S1), 3128-3130, 2022
2022
Real-Time 3D Analysis During Tomographic Experiments using tomviz
R Hovden, J Schwartz, C Harris, J Pietryga, H Zheng, P Kumar, ...
2022
Open chemistry: Democratizing web-based chemistry databases
M Hanwell, C Harris, A Genova, M El Khatib, M Haghighatlari, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Subsystem density functional theory for molecules and solids: theory, development, applications
A Genova
Rutgers University-Graduate School-Newark, 2018
2018
S. KARGER BASEL NEW YORK
SM Solothurn, A Alder, H Alessandri, G Bickel, WO Cruz, CRD Gupta, ...
Acta Haematologica 34, 1965
1965
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