E-LIB Suche - Ergebnisse für: Del Ben, Mauro

1

Velocity-Gauge Real-Time Time-Dependent Density Functional ..:

Xu, Qiang ; Del Ben, Mauro ; Sait Okyay, Mahmut...
Journal of Chemical Theory and Computation. 19 (2023) 22 - p. 7989-7997 , 2023

Link: https://doi.org/10.1021/..

2

Front Cover:

Hanasaki, Kota ; Ali, Zulfikhar A. ; Choi, Min..
Journal of Computational Chemistry. 44 (2023) 9 - p. , 2023

Link: https://doi.org/10.1002/..

3

Electron/Hole Mobilities of Periodic DNA and Nucleobase Str..:

Kwon, Hyuna ; Kumar, Anshuman ; Del Ben, Mauro.
The Journal of Physical Chemistry B. 127 (2023) 26 - p. 5755-5763 , 2023

Link: https://doi.org/10.1021/..

4

Screening of Excitons by Organic Cations in Quasi-Two-Dimen..:

Filip, Marina R. ; Qiu, Diana Y. ; Del Ben, Mauro.
Nano Letters. 22 (2022) 12 - p. 4870-4878 , 2022

Link: https://doi.org/10.1021/..

5

Quasiparticle energies and optical excitations of 3C-SiC di..:

Gao, Weiwei ; da Jornada, Felipe H. ; Del Ben, Mauro...
Physical Review Materials. 6 (2022) 3 - p. , 2022

Link: https://doi.org/10.1103/..

6

Implementation of real‐time TDDFT for periodic systems in t..:

Hanasaki, Kota ; Ali, Zulfikhar A. ; Choi, Min..
Journal of Computational Chemistry. 44 (2022) 9 - p. 980-987 , 2022

Link: https://doi.org/10.1002/..

7

Outcomes of OpenMP Hackathon: OpenMP Application Experience..:

, In: OpenMP: Enabling Massive Node-Level Parallelism; Lecture Notes in Computer Science,

Chapman, Barbara ; Pham, Buu ; Yang, Charlene... - p. 81-95 , 2021

Link: https://doi.org/10.1007/..

8

Quantifying the hydration structure of sodium and potassium..:

Duignan, Timothy T. ; Schenter, Gregory K. ; Fulton, John L....
Physical Chemistry Chemical Physics. 22 (2020) 19 - p. 10641-10652 , 2020

Link: https://doi.org/10.1039/..

9

Reproducibility in G0W0 calculations for solids:

Rangel, Tonatiuh ; Del Ben, Mauro ; Varsano, Daniele...
Computer Physics Communications. 255 (2020) - p. 107242 , 2020

Link: https://doi.org/10.1016/..

10

CP2K: An electronic structure and molecular dynamics softwa..:

Kühne, Thomas D. ; Iannuzzi, Marcella ; Del Ben, Mauro...
The Journal of Chemical Physics. 152 (2020) 19 - p. , 2020

Link: https://doi.org/10.1063/..

11

Large-scale GW calculations on pre-exascale HPC systems:

Del Ben, Mauro ; da Jornada, Felipe H. ; Canning, Andrew...
Computer Physics Communications. 235 (2019) - p. 187-195 , 2019

Link: https://doi.org/10.1016/..

12

Improved Unconstrained Energy Functional Method for Eigenso..:

, In: Proceedings of the 48th International Conference on Parallel Processing,

Del Ben, Mauro ; Marques, Osni ; Canning, Andrew - p. 1-11 , 2019

Link: https://dl.acm.org/doi/1..

13

Picosecond Absorption Spectroscopy of Excited States in BaB..:

Li, Peiyun ; Gridin, Sergii ; Ucer, K. Burak...
Physical Review Applied. 12 (2019) 1 - p. , 2019

Link: https://doi.org/10.1103/..

14

GW in the Gaussian and Plane Waves Scheme with Application ..:

Wilhelm, Jan ; Del Ben, Mauro ; Hutter, Jürg
Journal of Chemical Theory and Computation. 12 (2016) 8 - p. 3623-3635 , 2016

Link: https://doi.org/10.1021/..

15

Large-Scale Cubic-Scaling Random Phase Approximation Correl..:

Wilhelm, Jan ; Seewald, Patrick ; Del Ben, Mauro.
Journal of Chemical Theory and Computation. 12 (2016) 12 - p. 5851-5859 , 2016

Link: https://doi.org/10.1021/..