*Updated 6/4/2018*

- G. Antonius and S. G. Louie, “
**Temperature-Induced Topological Phase Transitions: Promoted versus Suppressed Nontrivial Topology**,” Phys. Rev. Lett. 117, 246401 (2016). - F. H. da Jornada, D. Y. Qiu, and S. G. Louie, “
**Non-uniform sampling schemes of the brillouin zone for many-electron perturbation theory calculations in reduced dimensionality**,” Phys. Rev. B 95, 035109 (2017). - H. Cao, Z. Yu, P. Lu, and L.-W. Wang, “
**Fully converged plane-wave-based self-consistent GW calculations of periodic solids**,” Phys. Rev. B 95, 035139 (2017). - T. Rangel, S. M. Hamed, F. Bruneval, and J. B. Neaton, “
**An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation**,” J. Chem. Phys. 146, 194108 (2017). - D. Y. Qiu, F. H. da Jornada, S. G. Louie, “
**Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra, of Few-Layer Black Phosphorus**,” Nano Lett. 17, 4706 (2017). - T. Cao, F. Zhao, S. G. Louie, “
**Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains**,” Phys. Rev. Lett. 119, 076401 (2017). - V. Vlcek, E. Rabani, D. Neuhauser, and R. Baer, “
**Stochastic GW Calculations for Molecules**,” J Chem Theory Comput. 2017, 13(10), 4997-5003 (2017). - M. Sakurai, J. R. Chelikowsky, S. G. Louie, and S. Saito, “
**Quasiparticle energies and dielectric functions of diamond polytypes**,” Phys. Rev. Mat.**1**, 054603 (2017). - J. Deslippe, F. H. da Jornada, D. Vigil-Fowler, T. Barnes, T. Kurth, and S. G. Louie, “Preparing an Excited-State Materials Application for Exascale,” Published in “Exascale Scientific Applications: Programming Approaches for Scalability, Performance, and Portability,” Chapman and Hall/CRC, (2017).
- L. Ju, L. Wang, T. Cao, T. Taniguchi, K. Watanabe, J. Hone, S. G. Louie, F. Rana, J. Park, F. Wang, and P. L. McEuen, “
**Tunable Excitons in Bilayer Graphene,**” Science,**358**, 907 (2017). - S. Refaely-Abramson, F. H. da Jornada, S. G. Louie, J. B. Neaton, “
**Origins of Singlet Fission in Solid Pentacene from an ab initio Green’s Function Approach**,” Phys. Rev. Lett.**119**, 26 (2017). - T. Rangel, A. Rinn, S. Sharifzadeh, F. H. da Jornada, A. Pick, S. G. Louie, G. Witte, L. Kronik, J. B. Neaton, and S. Chatterjee, “
**Low-lying excited states in crystalline perylene**,” Proceedings of the National Academy of Sciences of the United States of America, 115, 284 (2018). - W. Hu, M. Shao, A. Cepellotti, F. H. da Jornada, L. Lin, K. Thicke, C. Yang, and S. G. Louie, “
**Accelerating Optical Absorption Spectra and Exciton Energy Computation for Nanosystems via Interpolative Separable Density Fitting**,” Submitted (2018). - Y. Sakai, J. R. Chelikowsky, and M. L. Cohen, “
**Simulating the effect of boron doping in superconducting carbon**,” Phys. Rev. B**97**, 054501 (2018). - B. D. Folie, J. B. Haber, S. Refaely-Abramson, J. B. Neaton, and N. S. Ginsberg, “
**Long-Lived Correlated Triplet Pairs in a π-Stacked Crystalline Pentacene Derivative**,” J. Am. Chem. Soc.,**2018**, 140(6), 2326-2335 (2018). - G. Antonius, D. Y. Qiu, S. G. Louie, “
**Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides**,” Nano Lett. 18, 1925 (2018). - T. Cao, M. Wu, S. G. Louie, “
**Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers**,” Phys. Rev. Lett. 120, 087402 (2018). - V. Vlcek, E. Rabani, and D. Neuhauser, “
**Quasiparticle Spectra from Molecules to Bulk**,” Phys. Rev. Mat.**2**, 030801 (2018). - Y. Sakai, J. R. Chelikowsky, and M. L. Cohen, “
**Magnetism in amorphous carbon: a first-principles study**,” Phys. Rev. Mater., submitted (2018). - S. Refaely-Abramson, D. Y. Qiu, S. G. Louie, and J. B. Neaton, “
**Defect-induced modification of low-lying excitons and valley selectivity in monolayer transition metal dichalcogenides**,” Submitted (2018). - M. Shao, F. H. da Jornada, L. Lin, C. Yang, J. Deslippe, S. G. Louie, “
**A structure preserving Lanczos algorithm for computing the optical absorption spectrum**,” SIAM J. Matrix Anal. and Appl., In Press (2018). - V. Vlcek, R. Baer, E. Rabani, and D. Neuhauser, “Simple eigenvalue-self-consistent Delta-GW0”, Phys. Rev. X, Submitted (2018).
- V. Vlcek, W. Li, D. Neuhauser, R. Baer, E. Rabani, “Turbo-boosting GW beyond 10,000 electrons using fractured stochastic orbitals,” Submitted (2018).
- J. R. Chelikowsky, “Extending the Scale with Real-space Methods for the Electronic Structure,” Handbook of Materials Modeling. Volume 1 Methods: Theory and Modeling, Eds. W. Andreoni and S. Yip, Springer, in press (2018).
- W. Gao, L. Hung, S. Ogut and J. R. Chelikowsky, “First principles study of the stability, electronic structure, and optical absorption of small BN-based diamondoids,” Phys. Chem. Chem. Phys., submitted (2018).
- J. R. Chelikowsky, “Emergence of Functionalized Properties in Semiconductor Nanostructures,” Handbook of Materials Modeling. Volume 2 Applications: Current and Emerging Materials, Eds. W. Andreoni and S. Yip, Springer, in press (2018).