Mauro Del Ben

Research Scientist

Phone: +1 510 486 7691

Mauro Del Ben, PhD in Chemistry from the University of Zurich, since 2018 Research Scientist at the Computational Research Division LBNL, member of the Center for Computational Study of Excited-State Phenomena in Energy Materials (C2SEPEM). His research is focused on the development of new computational and mathematical methods for first principle simulations of ground and excited state phenomena in chemistry and materials, with a particular focus in the development of high performance computing algorithms for large scale massively parallel applications, including hybrid CPU-GPU architectures.

Journal Articles

Timothy T Duignan, Gregory Schenter, John L Fulton, Thomas Huthwelker, Mahalingam Balasubramanian, Mirza Galib, Marcel Baer, Jan Wilhelm, Jürg Hutter, Mauro Del Ben, Xiu Song Zhao, Christopher Jay Mundy, "Quantifying the Hydration Structure of Sodium and Potassium Ions: Taking Additional Steps on Jacob's Ladder", Physical Chemistry Chemical Physics, December 19, 2019, doi: 10.1039/C9CP06161D

Peiyun Li, Sergii Gridin, K. Burak Ucer, Richard T. Williams, Mauro Del Ben, Andrew Canning, Federico Moretti, Edith Bourret, "Picosecond Absorption Spectroscopy of Excited States in BaBrCl with and without Eu Dopant and Au Codopant", Physical Review Applied, 2019, 12 (1):014035, doi: 10.1103/PhysRevApplied.12.014035

Mauro Del Ben, H Felipe, Gabriel Antonius, Tonatiuh Rangel, Steven G Louie, Jack Deslippe, Andrew Canning, "Static Subspace Approximation for the Evaluation of G0W0 Quasiparticle Energies within a Sum-Over-Bands Approach", Physical Review B, 2019, 99 (12):125128, doi: 10.1103/PhysRevB.99.125128

Mauro Del Ben, H Felipe, Andrew Canning, Nathan Wichmann, Karthik Raman, Ruchira Sasanka, Chao Yang, Steven G Louie, Jack Deslippe, "Large-Scale GW Calculations on Pre-Exascale HPC Systems", Computer Physics Communications, 2019, 235:187-195, doi: 10.1016/j.cpc.2018.09.003

Jan Wilhelm, Patrick Seewald, Mauro Del Ben, Jürg Hutter, "Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis", Journal of Chemical Theory and Computation, 2016, 12 (12):5851-5859, doi: 10.1021/acs.jctc.6b00840

Jan Wilhelm, Mauro Del Ben, Jürg Hutter, "GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes", Journal of Chemical Theory and Computation, 2016, 12 (8):3623-3635, doi: 10.1021/acs.jctc.6b00380

Mauro Del Ben, Jürg Hutter, Joost VandeVondele, "Forces and Stress in Second Order Møller-Plesset Perturbation Theory for Condensed Phase Systems within the Resolution-of-Identity Gaussian and Plane Waves Approach", The Journal of Chemical Physics, 2015, 143 (10):102803, doi: 10.1063/1.4919238

Mauro Del Ben, Jürg Hutter, Joost VandeVondele, "Probing the Structural and Dynamical Properties of Liquid Water With Models Including Non-Local Electron Correlation", The Journal of Chemical Physics, 2015, 143 (5):054506, doi: 10.1063/1.4927325

Mauro Del Ben, Ole Schütt, Tim Wentz, Peter Messmer, Jürg Hutter, Joost VandeVondele, "Enabling Simulation at the Fifth Rung of DFT: Large Scale RPA Calculations with Excellent Time to Solution", Computer Physics Communications, 2015, 187:120-129, doi: 10.1016/j.cpc.2014.10.021

Mauro Del Ben, Joost VandeVondele, Ben Slater, "Periodic MP2, RPA, and Boundary Condition Assessment of Hydrogen Ordering in Ice XV", The Journal of Physical Chemistry Letters, 2014, 5 (23):4122-4128, doi: 10.1021/jz501985w

Mauro Del Ben, Mandes Schönherr, Jürg Hutter, Joost VandeVondele, "Correction to 'Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory'", The Journal of Physical Chemistry Letters, 2014, 5 (17):3066-3067, doi: 10.1021/jz401931f

Mauro Del Ben, Mandes Schönherr, Jürg Hutter, Joost VandeVondele, "Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory", The Journal of Physical Chemistry Letters, 2013, 4 (21):3753-3759, doi: 10.1021/jz401931f

Mauro Del Ben, Jürg Hutter, Joost VandeVondele, "Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme", Journal of Chemical Theory and Computation, 2013, 9 (6):2654-2671, doi: 10.1021/ct4002202

Mauro Del Ben, Jürg Hutter, Joost VandeVondele, "Second-Order Møller–Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach", Journal of Chemical Theory and Computation, 2012, 8 (11):4177-4188, doi: 10.1021/ct300531w

Mauro Del Ben, Remco WA Havenith, Ria Broer, Mauro Stener, "Density Functional Study on the Morphology and Photoabsorption of CdSe Nanoclusters", The Journal of Physical Chemistry C, 2011, 115 (34):16782-1679, doi: 10.1021/jp203686a

Conference Papers

Mauro Del Ben, Osni Marques, Andrew Canning, "Improved Unconstrained Energy Functional Method for Eigensolvers in Electronic Structure Calculations", Proceedings of the 48th International Conference on Parallel Processing, ACM, 2019, 73, doi: 10.1145/3337821.3337914

Book Chapters

Jürg Hutter, Jan Wilhelm, Vladimir V Rybkin, Mauro Del Ben, Joost VandeVondele, "MP2-and RPA-Based Ab Initio Molecular Dynamics and Monte Carlo Sampling", Handbook of Materials Modeling: Methods: Theory and Modeling, ( 2018) doi: 10.1007/978-3-319-42913-7_58-1