Andrade X, Strubbe D, De Giovannini U, Larsen AH, Oliveira MJ, Alberdi-Rodriguez J, Varas A, Theophilou I, Helbig N, Verstraete MJ, et al. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems. Physical Chemistry Chemical Physics. 2015;17(47):31371–31396.
Publications
2015
Strubbe DA, Johlin EC, Kirkpatrick TR, Buonassisi T, Grossman JC. Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on a-Si: H. Physical Review B. 2015;92(24):241202.
Li H, Strubbe DA, Grossman JC. Functionalized Graphene Superlattice as a Single-Sheet Solar Cell. Advanced Functional Materials. 2015;25(32):5199–5205.
2012
Andrade X, Alberdi-Rodriguez J, Strubbe DA, Oliveira MJ, Nogueira F, Castro A, Muguerza J, Arruabarrena A, Louie SG, Aspuru-Guzik A an, et al. Time-dependent density-functional theory in massively parallel computer architectures: the octopus project. Journal of Physics: Condensed Matter. 2012;24(23):233202.
Deslippe J, Samsonidze G, Strubbe DA, Jain M, Cohen ML, Louie SG. BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures. Computer Physics Communications. 2012;183(6):1269–1289.
Strubbe DA, Lehtovaara L, Rubio A, Marques MA, Louie SG. Response functions in TDDFT: Concepts and implementation. In: Fundamentals of Time-Dependent Density Functional Theory. Springer; 2012. pp. 139–166.
2011
Zhang G, Strubbe DA, Louie SG, George TF. First-principles prediction of optical second-order harmonic generation in the endohedral N@ C 60 compound. Physical Review A. 2011;84(2):023837.
2010
Vila FD, Strubbe DA, Takimoto Y, Andrade X, Rubio A, Louie SG, Rehr JJ. Basis set effects on the hyperpolarizability of CHCl 3: Gaussian-type orbitals, numerical basis sets and real-space grids. The Journal of chemical physics. 2010;133(3):034111.
Comstock MJ, Strubbe DA, Berbil-Bautista L, Levy N, Cho J, Poulsen D, echet JMF, Louie SG, Crommie MF. Determination of photoswitching dynamics through chiral mapping of single molecules using a scanning tunneling microscope. Physical review letters. 2010;104(17):178301.
2007
Comstock MJ, Levy N, Kirakosian A, Cho J, Lauterwasser F, Harvey JH, Strubbe DA, echet JMF, Trauner D, Louie SG, et al. Reversible photomechanical switching of individual engineered molecules at a metallic surface. Physical review letters. 2007;99(3):038301.