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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), 194103, 2020
6302020
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
1492013
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
1382012
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
1222011
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
1142013
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), 054506, 2015
952015
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
852016
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), 102803, 2015
612015
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
582016
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
522014
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
452015
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
282020
Reproducibility in G0W0 calculations for solids
T Rangel, M Del Ben, D Varsano, G Antonius, F Bruneval, H Felipe, ...
Computer Physics Communications 255, 107242, 2020
222020
Large-scale GW calculations on pre-exascale HPC systems
M Del Ben, H Felipe, A Canning, N Wichmann, K Raman, R Sasanka, ...
Computer Physics Communications 235, 187-195, 2019
222019
Accelerating large-scale excited-state GW calculations on leadership HPC systems
M Del Ben, C Yang, Z Li, H Felipe, SG Louie, J Deslippe
SC20: International Conference for High Performance Computing, Networking …, 2020
122020
Static subspace approximation for the evaluation of quasiparticle energies within a sum-over-bands approach
M Del Ben, H Felipe, G Antonius, T Rangel, SG Louie, J Deslippe, ...
Physical Review B 99 (12), 125128, 2019
72019
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
52019
Accelerating large-scale GW calculations on hybrid GPU-CPU systems
M Del Ben, C Yang, S Louie, J Deslippe
Bulletin of the American Physical Society 65, 2020
32020
MP2-and RPA-Based Ab Initio Molecular Dynamics and Monte Carlo Sampling
J Hutter, J Wilhelm, VV Rybkin, M Del Ben, J VandeVondele
Handbook of Materials Modeling: Methods: Theory and Modeling, 523-543, 2020
32020
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Mode
S Pophale, D Oryspayev, B Chapman, B Pham, C Yang, C Daley, ...
Brookhaven National Lab.(BNL), Upton, NY (United States), 2021
22021
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