Segui
Alessandro Genova
Titolo
Citata da
Citata da
Anno
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
762015
Nonlocal kinetic energy functionals by functional integration
W Mi, A Genova, M Pavanello
The Journal of Chemical Physics 148 (18), 184107, 2018
512018
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 Daz, DJ Auerbach, GJ Kroes
The Journal of Chemical Physics 141 (12), 124705, 2014
432014
Periodic subsystem density-functional theory
A Genova, D Ceresoli, M Pavanello
The Journal of Chemical Physics 141 (17), 174101, 2014
402014
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
372017
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
272015
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), 234105, 2016
262016
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
252021
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
132021
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
112019
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
10*2017
eQE 2.0: Subsystem DFT beyond GGA functionals
W Mi, X Shao, A Genova, D Ceresoli, M Pavanello
Computer Physics Communications 269, 108122, 2021
92021
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
62019
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
Wiley Interdiscip
X Shao, K Jiang, W Mi, A Genova, M Pavanello
Rev.: Comput. Mol. Sci 11, e1482, 2021
42021
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), 1-7, 2022
12022
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, The State University of New Jersey, 2018
2018
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
Articoli 1–20