| 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 | 92 | 2015 |
| Nonlocal kinetic energy functionals by functional integration W Mi, A Genova, M Pavanello The Journal of Chemical Physics 148 (18), 2018 | 75 | 2018 |
| Periodic subsystem density-functional theory A Genova, D Ceresoli, M Pavanello The Journal of Chemical Physics 141 (17), 2014 | 46 | 2014 |
| 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 | 45 | 2014 |
| 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 | 43 | 2017 |
| 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 | 42 | 2021 |
| 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 | 34 | 2016 |
| 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 | 33 | 2015 |
| 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 | 21 | 2022 |
| eQE 2.0: Subsystem DFT beyond GGA functionals W Mi, X Shao, A Genova, D Ceresoli, M Pavanello Computer Physics Communications 269, 108122, 2021 | 19 | 2021 |
| 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 | 16 | 2019 |
| 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 | 16* | 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 | 14 | 2021 |
| 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 | 12 | 2019 |
| 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 | 6 | 2018 |
| 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 |
Michele PavanelloProfessor, Rutgers University-Newark在 rutgers.edu 的电子邮件经过验证
