Predicting High-Pressure and Excited-State Properties of Real Materials. - X. W. Wang; Steven G. Louie; Marvin L. Cohen (Int. J. High Perform. Comput. Appl., 1991)

Conjugate-Gradient Based Electronic Structure Calculations on the Cray T3E and SGI PowerChallenge. - Bernd G. Pfrommer; Steven G. Louie; Horst D. Simon (PP, 1997)

Electron transport and optical properties of carbon nanostructures from first principles. - Jeffrey B. Neaton; K. H. Khoo; C. D. Spataru; Steven G. Louie (Comput. Phys. Commun., 2005)

EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions. - Jesse Noffsinger; Feliciano Giustino; Brad D. Malone; Cheol-Hwan Park; Steven G. Louie; Marvin L. Cohen (Comput. Phys. Commun., 2010)

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures. - Jack Deslippe; Georgy Samsonidze; David A. Strubbe; Manish Jain; Marvin L. Cohen; Steven G. Louie (Comput. Phys. Commun., 2012)

Numerical integration for ab initio many-electron self energy calculations within the GW approximation. - Fang Liu; Lin Lin 001; Derek Vigil-Fowler; Johannes Lischner; Alexander F. Kemper; Sahar Sharifzadeh; Felipe H. da Jornada; Jack Deslippe; Chao Yang 001; Jeffrey B. Neaton; Steven G. Louie (J. Comput. Phys., 2015)

Optimizing Excited-State Electronic-Structure Codes for Intel Knights Landing: A Case Study on the BerkeleyGW Software. - Jack Deslippe; Felipe H. da Jornada; Derek Vigil-Fowler; Taylor Barnes; Nathan Wichmann; Karthik Raman; Ruchira Sasanka; Steven G. Louie (ISC Workshops, 2016)

Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting. - Wei Hu 006; Meiyue Shao; Andrea Cepellotti; Felipe H. da Jornada; Lin Lin 001; Kyle Thicke; Chao Yang 001; Steven G. Louie (ICCS (2), 2018)

A Structure Preserving Lanczos Algorithm for Computing the Optical Absorption Spectrum. - Meiyue Shao; Felipe H. da Jornada; Lin Lin 001; Chao Yang 001; Jack Deslippe; Steven G. Louie (SIAM J. Matrix Anal. Appl., 2018)

Large-scale GW calculations on pre-exascale HPC systems. - Mauro Del Ben; Felipe H. da Jornada; Andrew Canning; Nathan Wichmann; Karthik Raman; Ruchira Sasanka; Chao Yang 001; Steven G. Louie; Jack Deslippe (Comput. Phys. Commun., 2019)

Accelerating large-scale excited-state GW calculations on leadership HPC systems. - Mauro Del Ben; Charlene Yang; Zhenglu Li; Felipe H. da Jornada; Steven G. Louie; Jack Deslippe (SC, 2020)

Reproducibility in G0W0 calculations for solids. - Tonatiuh Rangel; Mauro Del Ben; Daniele Varsano; Gabriel Antonius; Fabien Bruneval; Felipe H. da Jornada; Michiel J. van Setten; Okan K. Orhan; David D. O'Regan; Andrew Canning; Andrea Ferretti; Andrea Marini 002; et al. (Comput. Phys. Commun., 2020)

Tunnel-FET Switching Is Governed by Non-Lorentzian Spectral Line Shape. - Sri Krishna Vadlamani; Sapan Agarwal; David T. Limmer; Steven G. Louie; Felix R. Fischer; Eli Yablonovitch (Proc. IEEE, 2020)

Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium Green's function. - Jia Yin; Yang-hao Chan; Felipe H. da Jornada; Diana Qiu; Steven G. Louie; Chao Yang 001 (J. Comput. Sci., 2022)

Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition. - Jia Yin; Yang-hao Chan; Felipe H. da Jornada; Diana Qiu; Chao Yang 001; Steven G. Louie (J. Comput. Phys., 2023)

Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW. - Zhenglu Li; Gabriel Antonius; Yang-Hao Chan; Steven G. Louie (Comput. Phys. Commun., 2024)

Generalizing deep learning electronic structure calculation to the plane-wave basis. - Xiaoxun Gong; Steven G. Louie; Wenhui Duan; Yong Xu 016 (Nat. Comput. Sci., 2024)