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5 results in Authors: Mauro Del Ben

Theoretical and Computational Chemistry

Electron/Hole Mobilities of Periodic DNA and Nucleobase Structures from Large-Scale DFT Calculations

Hyuna Kwon, Anshuman Kumar, Mauro Del Ben, Bryan Wong

Version 1 posted 23 May 2023

186

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Theoretical and Computational Chemistry

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob’s Ladder

Timothy Duignan, Gregory K. Schenter, John Fulton, Thomas huthwelker, mahalingam balasubramanian, Mirza Galib, Marcel D. Baer, Jan Wilhelm, Jürg Hutter, Mauro Del Ben, Xiu Song Zhao, Christopher J. Mundy

Version 2 posted 08 November 2019

1,850

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1

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Theoretical and Computational Chemistry

Impact of solvation on the GW quasiparticle spectra of molecules

Jacob Clary, Mauro Del Ben, Ravishankar Sundararaman, Derek Vigil-Fowler

Version 1 posted 31 May 2023

172

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Theoretical and Computational Chemistry

Implementation of Real-Time TDDFT for Periodic Systems in the Open-Source PySCF Software Package

Kota Hanasaki, Zulfikhar Ali, Min Choi, Mauro Del Ben, Bryan Wong

Version 1 posted 07 December 2022

312

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Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry

Jacob Clary, Olivia Hull, Daniel Weinberg, Ravishankar Sundararaman, Mauro Del Ben, Derek Vigil-Fowler

Version 1 posted 31 May 2024

121

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