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Mauro Del Ben
Mauro Del Ben
Verified email at lbl.gov
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CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 2020
18522020
Bulk liquid water at ambient temperature and pressure from MP2 theory
M Del Ben, M Schönherr, J Hutter, J VandeVondele
The journal of physical chemistry letters 4 (21), 3753-3759, 2013
1692013
Second-order Møller–Plesset perturbation theory in the condensed phase: An efficient and massively parallel Gaussian and plane waves approach
M Del Ben, J Hutter, J VandeVondele
Journal of chemical theory and computation 8 (11), 4177-4188, 2012
1632012
Electron correlation in the condensed phase from a resolution of identity approach based on the Gaussian and plane waves scheme
M Del Ben, J Hutter, J VandeVondele
Journal of chemical theory and computation 9 (6), 2654-2671, 2013
1362013
Density functional study on the morphology and photoabsorption of CdSe nanoclusters
M Del Ben, RWA Havenith, R Broer, M Stener
The Journal of Physical Chemistry C 115 (34), 16782-16796, 2011
1312011
GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes
J Wilhelm, M Del Ben, J Hutter
Journal of chemical theory and computation 12 (8), 3623-3635, 2016
1122016
Probing the structural and dynamical properties of liquid water with models including non-local electron correlation
M Del Ben, J Hutter, J VandeVondele
The Journal of chemical physics 143 (5), 2015
1112015
Large-scale cubic-scaling random phase approximation correlation energy calculations using a Gaussian basis
J Wilhelm, P Seewald, M Del Ben, J Hutter
Journal of chemical theory and computation 12 (12), 5851-5859, 2016
822016
Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach
M Del Ben, J Hutter, J VandeVondele
The Journal of chemical physics 143 (10), 2015
692015
Periodic MP2, RPA, and boundary condition assessment of hydrogen ordering in ice XV
M Del Ben, J VandeVondele, B Slater
The journal of physical chemistry letters 5 (23), 4122-4128, 2014
582014
Enabling simulation at the fifth rung of DFT: Large scale RPA calculations with excellent time to solution
M Del Ben, O Schütt, T Wentz, P Messmer, J Hutter, J VandeVondele
Computer Physics Communications 187, 120-129, 2015
572015
Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder
TT Duignan, GK Schenter, JL Fulton, T Huthwelker, M Balasubramanian, ...
Physical Chemistry Chemical Physics 22 (19), 10641-10652, 2020
492020
Reproducibility in G0W0 calculations for solids
T Rangel, M Del Ben, D Varsano, G Antonius, F Bruneval, FH da Jornada, ...
Computer Physics Communications 255, 107242, 2020
462020
Large-scale GW calculations on pre-exascale HPC systems
M Del Ben, FH da Jornada, A Canning, N Wichmann, K Raman, ...
Computer Physics Communications 235, 187-195, 2019
422019
Screening of excitons by organic cations in quasi-two-dimensional organic–inorganic lead-halide perovskites
MR Filip, DY Qiu, M Del Ben, JB Neaton
Nano letters 22 (12), 4870-4878, 2022
312022
Accelerating large-scale excited-state GW calculations on leadership HPC systems
M Del Ben, C Yang, Z Li, FH da Jornada, SG Louie, J Deslippe
SC20: International Conference for High Performance Computing, Networking …, 2020
272020
Static subspace approximation for the evaluation of quasiparticle energies within a sum-over-bands approach
M Del Ben, FH da Jornada, G Antonius, T Rangel, SG Louie, J Deslippe, ...
Physical Review B 99 (12), 125128, 2019
212019
Outcomes of openMP hackathon: openMP application experiences with the offloading model (part II)
B Chapman, B Pham, C Yang, C Daley, C Bertoni, D Kulkarni, ...
OpenMP: Enabling Massive Node-Level Parallelism: 17th International Workshop …, 2021
112021
Quasiparticle energies and optical excitations of 3C-SiC divacancy from and plus Bethe-Salpeter equation calculations
W Gao, FH da Jornada, M Del Ben, J Deslippe, SG Louie, ...
Physical Review Materials 6 (3), 036201, 2022
82022
Picosecond Absorption Spectroscopy of Excited States in with and without Dopant and Codopant
P Li, S Gridin, KB Ucer, RT Williams, M Del Ben, A Canning, F Moretti, ...
Physical Review Applied 12 (1), 014035, 2019
82019
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