Prediction of multicomponent reaction yields using machine learning XY Zhu, CK Ran, M Wen, GL Guo, Y Liu, LL Liao, YZ Li, ML Li, DG Yu Chinese Journal of Chemistry 39 (12), 3231-3237, 2021 | 27 | 2021 |
Comparing self-consistent GW and vertex corrected G0W0 (G0W0 {\Gamma}) accuracy for molecular ionization potentials M Wen, V Abraham, G Harsha, A Shee, B Whaley, D Zgid J. Chem. Theory Comput. 20 (8), 3109–3120, 2023 | 15 | 2023 |
Mechanism and enantioselectivity of the asymmetric [3+ 2]-annulation between N-methylindole and enoldiazoacetamide catalyzed by prolinate-coordinated dirhodium: A theoretical study M Wen, S Li, J Han, Y Xue Journal of Molecular Graphics and Modelling 94, 107489, 2020 | 4 | 2020 |
Green/WeakCoupling: Implementation of fully self-consistent finite-temperature many-body perturbation theory for molecules and solids S Iskakov, CN Yeh, P Pokhilko, Y Yu, L Zhang, G Harsha, V Abraham, ... Computer Physics Communications 306, 109380, 2025 | 3 | 2025 |
Large Exciton Binding Energy in the Bulk van der Waals Magnet CrSBr S Smolenski, M Wen, Q Li, E Downey, A Alfrey, W Liu, ALN Kondusamy, ... arXiv preprint arXiv:2403.13897, 2024 | 2 | 2024 |
Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals G Harsha, V Abraham, M Wen, D Zgid arXiv preprint arXiv:2406.18077, 2024 | 1 | 2024 |
GW in Gaussian Bloch Orbitals for Solids-relativistic effects, pseudopotentials, and impacts of different self-consistency cycles D Zgid, G Harsha, V Abraham, M Wen, CN Yeh, S Iskakov, E Gull APS March Meeting Abstracts 2023, A59. 001, 2023 | | 2023 |
Effect of quasiparticle self-consistent schemes on the GW method with Bloch Gaussian orbitals G Harsha, V Abraham, M Wen, D Zgid APS March Meeting Abstracts 2023, T61. 008, 2023 | | 2023 |
Theoretical simulation of molecular valence and core photoemission spectra with GW approaches M Wen, V Abraham, G Harsha, D Zgid APS March Meeting Abstracts 2023, T61. 009, 2023 | | 2023 |
Estimating the accuracy of pseudopotential based GW method at different levels of self consistency using Gaussian orbitals V Abraham, M Wen, G Harsha, G Harsha, D Zgid APS March Meeting Abstracts 2023, A59. 004, 2023 | | 2023 |