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
5322012
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
3982007
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
2762015
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
2112012
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
562010
Basis set effects on the hyperpolarizability of : 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), 034111, 2010
502010
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
322016
Deep learning and density-functional theory
K Ryczko, DA Strubbe, I Tamblyn
Physical Review A 100 (2), 022512, 2019
162019
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
152015
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
142012
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
142011
Solid lubrication with MoS2: A review
MR Vazirisereshk, A Martini, DA Strubbe, MZ Baykara
Lubricants 7 (7), 57, 2019
132019
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), 124119, 2020
72020
Functionalized Graphene Superlattice as a Single‐Sheet Solar Cell
H Li, DA Strubbe, JC Grossman
Advanced Functional Materials 25 (32), 5199-5205, 2015
52015
Optical and transport properties of organic molecules: methods and applications
DA Strubbe
UC Berkeley, 2012
52012
Orbital magneto-optical response of periodic insulators from first principles
IV Lebedeva, DA Strubbe, IV Tokatly, A Rubio
npj Computational Materials 5 (1), 1-9, 2019
42019
Thermodynamic limits to energy conversion in solar thermal fuels
DA Strubbe, JC Grossman
Journal of Physics: Condensed Matter 31 (3), 034002, 2018
42018
MIT Atomic Scale Modeling Toolkit
D Richards, E Ertekin, JC Grossman, D Strubbe, J Riley
32013
Performance Degradation in aSi/cSi Heterojunction Solar Cells by Glassy Dynamics
GT Zimányi, C Hansen, D Strubbe
2019 IEEE 46th Photovoltaic Specialists Conference (PVSC), 1148-1150, 2019
12019
Controlling the photo-stationary state of azobenzene for high efficiency solar thermal fuels: A computational study
JS Yoo, DA Strubbe, AM Kolpak, JC Grossman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014
12014
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Artiklar 1–20