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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
9572012
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
5492015
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
4612007
Solid Lubrication with MoS2: A Review
MR Vazirisereshk, A Martini, DA Strubbe, MZ Baykara
Lubricants 7 (7), 57, 2019
4252019
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
3162012
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
3092020
Deep learning and density-functional theory
K Ryczko, DA Strubbe, I Tamblyn
Physical Review A 100 (2), 022512, 2019
1142019
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
642016
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
632010
Determination of Photoswitching Dynamics through Chiral Mapping of Single Molecules<? format?> 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
602010
Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on -Si:H
DA Strubbe, EC Johlin, TR Kirkpatrick, T Buonassisi, JC Grossman
Physical Review B 92 (24), 241202, 2015
412015
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
282020
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
192012
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
18*2021
First-principles prediction of optical second-order harmonic generation in the endohedral compound
GP Zhang, DA Strubbe, SG Louie, TF George
Physical Review A—Atomic, Molecular, and Optical Physics 84 (2), 023837, 2011
152011
Thermodynamic limits to energy conversion in solar thermal fuels
DA Strubbe, JC Grossman
Journal of Physics: Condensed Matter 31 (3), 034002, 2018
142018
Enhanced interlayer interactions in Ni-doped , and structural and electronic signatures of doping site
R Karkee, E Guerrero, DA Strubbe
Physical Review Materials 5 (7), 074006, 2021
122021
Functionalized Graphene Superlattice as a Single‐Sheet Solar Cell
H Li, DA Strubbe, JC Grossman
Advanced Functional Materials 25 (32), 5199-5205, 2015
112015
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
92022
Intercalation leads to inverse layer dependence of friction on chemically doped MoS2
O Acikgoz, E Guerrero, A Yanilmaz, OE Dagdeviren, C Çelebi, ...
Nanotechnology 34 (1), 015706, 2022
82022
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