David A Strubbe
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BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
J Deslippe, G Samsonidze, DA Strubbe, M Jain, ML Cohen, SG Louie
Computer Physics Communications 183 (6), 1269-1289, 2012
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ...
Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015
Reversible photomechanical switching of individual engineered molecules at a metallic surface
MJ Comstock, N Levy, A Kirakosian, J Cho, F Lauterwasser, JH Harvey, ...
Physical review letters 99 (3), 38301, 2007
Solid Lubrication with MoS2: A Review
MR Vazirisereshk, A Martini, DA Strubbe, MZ Baykara
Lubricants 7 (7), 57, 2019
Time-dependent density-functional theory in massively parallel computer architectures: the octopus project
X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ...
Journal of Physics: Condensed Matter 24 (23), 233202, 2012
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ...
The Journal of chemical physics 152 (12), 2020
Deep learning and density-functional theory
K Ryczko, DA Strubbe, I Tamblyn
Physical Review A 100 (2), 022512, 2019
Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
FD Vila, DA Strubbe, Y Takimoto, X Andrade, A Rubio, SG Louie, JJ Rehr
The Journal of chemical physics 133 (3), 2010
Determination of photoswitching dynamics through chiral mapping of single molecules using a scanning tunneling microscope
MJ Comstock, DA Strubbe, L Berbil-Bautista, N Levy, J Cho, D Poulsen, ...
Physical review letters 104 (17), 178301, 2010
Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation
G Romano, K Esfarjani, DA Strubbe, D Broido, AM Kolpak
Physical Review B 93 (3), 035408, 2016
Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on a-Si: H
DA Strubbe, EC Johlin, TR Kirkpatrick, T Buonassisi, JC Grossman
Physical Review B 92 (24), 241202, 2015
The CECAM electronic structure library and the modular software development paradigm
MJT Oliveira, N Papior, Y Pouillon, V Blum, E Artacho, D Caliste, ...
The Journal of chemical physics 153 (2), 2020
Response functions in TDDFT: Concepts and implementation
DA Strubbe, L Lehtovaara, A Rubio, MAL Marques, SG Louie
Fundamentals of Time-Dependent Density Functional Theory, 139-166, 2012
Phase Stability and Raman/IR Signatures of Ni-Doped MoS2 from Density Functional Theory Studies
E Guerrero, R Karkee, DA Strubbe
The Journal of Physical Chemistry C 125 (24), 13401-13412, 2021
First-principles prediction of optical second-order harmonic generation in the endohedral N@ C 60 compound
GP Zhang, DA Strubbe, SG Louie, TF George
Physical Review A 84 (2), 023837, 2011
Thermodynamic limits to energy conversion in solar thermal fuels
DA Strubbe, JC Grossman
Journal of Physics: Condensed Matter 31 (3), 034002, 2018
Enhanced interlayer interactions in Ni-doped MoS 2, and structural and electronic signatures of doping site
R Karkee, E Guerrero, DA Strubbe
Physical Review Materials 5 (7), 074006, 2021
Functionalized Graphene Superlattice as a Single‐Sheet Solar Cell
H Li, DA Strubbe, JC Grossman
Advanced Functional Materials 25 (32), 5199-5205, 2015
Spinor /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance
BA Barker, J Deslippe, J Lischner, M Jain, OV Yazyev, DA Strubbe, ...
Physical Review B 106 (11), 115127, 2022
Stress effects on vibrational spectra of a cubic hybrid perovskite: a probe of local strain
K Talit, DA Strubbe
The Journal of Physical Chemistry C 124 (50), 27287-27299, 2020
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