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Reeves, Vlcek - A Real-time Dyson Expansion Scheme: Efficient Inclusion of Dynamical Correlations in Non-equilibrium Spectral Properties, arXiv preprint arxiv:2403.07155 (2024)
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Nguyen, Duong, Neuhauser - Time-Dependent Density Functional Theory with the Orthogonal Projector Augmented Wave Method, arXiv preprint arXiv:2312.14179(2024)
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Wen, Abraham, Harsha, Shee, Whaley, Zgid - Comparing self-consistent GW and vertex corrected G0W0 (G0W0Γ) accuracy for molecular ionization potentials, arXiv preprint arXiv:2311.12209(2024)
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Sereda, Allen, Bradbury, Ibrahim, Neuhauser - Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid TDDFT Calculations, arXiv preprint arXiv:2402.16217(2024)
- Bassi, Zhu, Liang, Yin, Reeves, Vlcek, Yang - Learning nonlinear integral operators via Recurrent Neural Networks and its application in solving Integro-Differential Equations, Machine Learning with Applications Volume 15, 100524 (2024)
- Canestraight, Lei, Ibrahim, Vlcek - Efficient Quasiparticle Determination beyond the Diagonal Approximation via Random Compression, J. Chem. Theory Comput 20, 2, 551–557(2024)
- Lee, Melnick, Adler, Lanatà, Kotliar - Accuracy of ghost-rotationally-invariant slave-boson theory for multi-orbital Hubbard models and realistic material, Phys. Rev. B 108, 245147(2023)
- Reeves, Zhu, Yang, Vlcek - Unimportance of memory for the time non-local components of the Kadanoff-Baym equations, Phys. Rev. B 108, 115152(2023)
- Lee, Lanatà, and Kotliar - Accuracy of ghost rotationally invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size. Phys. Rev. B 107, L121104 (2023).
- Bradbury, Allen, Nguyen, Ibrahim, Neuhauser - Optimized Attenuated Interaction: Enabling Stochastic Bethe-Salpeter Spectra for Large Systems. J. Chem. Phys 158, 154104 (2023) .
- Huang, Gull, Lin - Robust analytic continuation of Green’s functions via projection, pole estimation, and semidefinite relaxation, Phys. Rev. B 107 (2023)
- Faulstich, Stubbs, Zhu, Soejima, Dilip, Zhai, Kim, Zaletel, Chan, Lin - Interacting models for twisted bilayer graphene: a quantum chemistry approach, Phys. Rev. B 107, 235123, (2023)
- Reeves, Yin, Zhu, Ibrahim, Yang, Vlcek - Dynamic Mode Decomposition for Extrapolating Non-equilibrium Green’s Functions Dynamics, Phys. Rev. B, 107, (2023)
- Romanova, Weng, Apelian, Vlcek - Dynamical downfolding for localized states, npj Comput. Mater. 9, 126,(2023)
- Zhu - Combinatorial Mori-Zwanzig Theory, arXiv preprint
- Yeh, Iskakov, Zgid, Gull - Fully Self-Consistent Finite-Temperature GW in Gaussian Bloch Orbitals for Solids, Phys. Rev. B 106, (2022)
- Jiao, Zhang, Wu, Wan, Ma, Li, Chen, Qin, Liu, Ding, Yang, Li, Hu, Lin, Yang - KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set, Comp. Phys. Comm. 279, 108424 (2022)
- Ibrahim, Yang, Maris - Performance Portability of Sparse Block Diagonal Matrix Multiple Vector Multiplications on GPUs, 2022 International Workshop on Performance, Portability and Productivity in HPC (P3HPC), SC22 (2022)
- Weng, Romanova, Apelian, Song, Vlcek - Reduced scaling of optimal regional orbital localization via sequential exhaustion of the single-particle space, J. Chem. Theory Comput. 18, 8 (2022)
- Mejuto-Zaera, Vlcek - Self-consistency in GWΓ formalism leading to quasiparticle-quasiparticle couplings, Phys. Rev. B, 106, 165129 (2022)