متابعة
Dario Rocca
Dario Rocca
QC Ware Corporation, Palo Alto
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عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
Advanced capabilities for materials modelling with Quantum ESPRESSO‏
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...‏
Journal of physics: Condensed matter 29 (46), 465901, 2017‏
82132017
Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods‏
S Sorella, M Casula, D Rocca‏
The Journal of chemical physics 127 (1), 2007‏
2922007
Turbo charging time-dependent density-functional theory with Lanczos chains‏
D Rocca, R Gebauer, Y Saad, S Baroni‏
The Journal of Chemical Physics 128 (15), 2008‏
2532008
Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory‏
Y Ping, D Rocca, G Galli‏
Chemical Society Reviews 42 (6), 2437-2469, 2013‏
2002013
Ab initio calculations of optical absorption spectra: Solution of the Bethe–Salpeter equation within density matrix perturbation theory‏
D Rocca, D Lu, G Galli‏
The Journal of chemical physics 133 (16), 2010‏
1862010
calculations using the spectral decomposition of the dielectric matrix: Verification, validation, and comparison of methods‏
TA Pham, HV Nguyen, D Rocca, G Galli‏
Physical Review B—Condensed Matter and Materials Physics 87 (15), 155148, 2013‏
1772013
Ab initio calculation of van der Waals bonded molecular crystals‏
D Lu, Y Li, D Rocca, G Galli‏
Physical review letters 102 (20), 206411, 2009‏
1772009
turboTDDFT–A code for the simulation of molecular spectra using the Liouville–Lanczos approach to time-dependent density-functional perturbation theory‏
OB Malcıoğlu, R Gebauer, D Rocca, S Baroni‏
Computer Physics Communications 182 (8), 1744-1754, 2011‏
1752011
Improving accuracy and efficiency of calculations of photoemission spectra within the many-body perturbation theory‏
HV Nguyen, TA Pham, D Rocca, G Galli‏
Physical Review B—Condensed Matter and Materials Physics 85 (8), 081101, 2012‏
1532012
First-principles engineering of charged defects for two-dimensional quantum technologies‏
F Wu, A Galatas, R Sundararaman, D Rocca, Y Ping‏
Physical Review Materials 1 (7), 071001, 2017‏
1022017
Optical properties of tungsten trioxide from first-principles calculations‏
Y Ping, D Rocca, G Galli‏
Physical Review B—Condensed Matter and Materials Physics 87 (16), 165203, 2013‏
1012013
Time-dependent density functional theory study of squaraine dye-sensitized solar cells‏
D Rocca, R Gebauer, F De Angelis, MK Nazeeruddin, S Baroni‏
Chemical Physics Letters 475 (1-3), 49-53, 2009‏
1012009
High-pressure core structures of Si nanoparticles for solar energy conversion‏
S Wippermann, M Vörös, D Rocca, A Gali, G Zimanyi, G Galli‏
Physical review letters 110 (4), 046804, 2013‏
862013
turboTDDFT 2.0—Hybrid functionals and new algorithms within time-dependent density-functional perturbation theory‏
X Ge, SJ Binnie, D Rocca, R Gebauer, S Baroni‏
Computer Physics Communications 185 (7), 2080-2089, 2014‏
782014
Self-consistent potential correction for charged periodic systems‏
M Chagas da Silva, M Lorke, B Aradi, M Farzalipour Tabriz, T Frauenheim, ...‏
Physical review letters 126 (7), 076401, 2021‏
732021
Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems‏
D Rocca, Y Ping, R Gebauer, G Galli‏
Physical Review B—Condensed Matter and Materials Physics 85 (4), 045116, 2012‏
702012
High-energy excitations in silicon nanoparticles‏
A Gali, M Vörös, D Rocca, GT Zimanyi, G Galli‏
Nano letters 9 (11), 3780-3785, 2009‏
502009
Computing RPA adsorption enthalpies by machine learning thermodynamic perturbation theory‏
B Chehaibou, M Badawi, T Bucko, T Bazhirov, D Rocca‏
Journal of Chemical Theory and Computation 15 (11), 6333-6342, 2019‏
482019
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions‏
J Claudot, WJ Kim, A Dixit, H Kim, T Gould, D Rocca, S Lebegue‏
The Journal of chemical physics 148 (6), 2018‏
472018
Adsorption of NO, NO2, CO, H2O and CO2 over isolated monovalent cations in faujasite zeolite: a periodic DFT investigation‏
EP Hessou, WG Kanhounnon, D Rocca, H Monnier, C Vallières, ...‏
Theoretical Chemistry Accounts 137, 1-12, 2018‏
442018
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مقالات 1–20