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 | 952 | 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 | 548 | 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 | 461 | 2007 |
Solid Lubrication with MoS2: A Review MR Vazirisereshk, A Martini, DA Strubbe, MZ Baykara Lubricants 7 (7), 57, 2019 | 414 | 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 | 315 | 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 | 302 | 2020 |
Deep learning and density-functional theory K Ryczko, DA Strubbe, I Tamblyn Physical Review A 100 (2), 022512, 2019 | 111 | 2019 |
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 | 64 | 2016 |
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 | 63 | 2010 |
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 | 60 | 2010 |
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 | 41 | 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 | 27 | 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 | 19 | 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 | 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 | 15 | 2011 |
Thermodynamic limits to energy conversion in solar thermal fuels DA Strubbe, JC Grossman Journal of Physics: Condensed Matter 31 (3), 034002, 2018 | 14 | 2018 |
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 | 11 | 2021 |
Functionalized Graphene Superlattice as a Single‐Sheet Solar Cell H Li, DA Strubbe, JC Grossman Advanced Functional Materials 25 (32), 5199-5205, 2015 | 11 | 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 | 9 | 2022 |
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 | 8 | 2022 |