Articles avec mandats d'accès public - Alessandro GenovaEn savoir plus
Disponibles quelque part : 12
Nonlocal kinetic energy functionals by functional integration
W Mi, A Genova, M Pavanello
The Journal of Chemical Physics 148 (18), 2018
Exigences : US National Science Foundation
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : Government of Spain
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US National Science Foundation
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
Exigences : US Department of Energy, US Department of Defense
eQE 2.0: Subsystem DFT beyond GGA functionals
W Mi, X Shao, A Genova, D Ceresoli, M Pavanello
Computer Physics Communications 269, 108122, 2021
Exigences : US National Science Foundation
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
Exigences : US National Science Foundation, US Department of Energy
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
Exigences : US National Science Foundation
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
Exigences : US National Science Foundation
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
Exigences : US Department of Energy
Real-Time 3D Analysis During Tomographic Experiments using tomviz
R Hovden, J Schwartz, C Harris, J Pietryga, H Zheng, P Kumar, ...
Exigences : US Department of Energy, US Department of Defense
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