Publications

How to cite WEST?

In publications arising from the use of WEST, please cite:

• Large scale GW calculations, M. Govoni and G. Galli, J. Chem. Theory Comput. 11, 2680-2696 (2015). download citation
• GPU acceleration of large-scale full-frequency GW calculations, V. Yu and M. Govoni, J. Chem. Theory Comput. 18, 4690-4707 (2022). download citation

Papers using WEST

Full-Frequency G₀W₀

• Improving the efficiency of G₀W₀ calculations with approximate spectral decompositions of dielectric matrices, H. Yang, M. Govoni, and G. Galli, J. Chem. Phys. 151, 224102 (2019).
• A finite-field approach for GW calculations beyond the random phase approximation, H. Ma, M. Govoni, F. Gygi, and G. Galli, J. Chem. Theory Comput. 15, 154-164 (2019).
• GW100: Comparison of methods and accuracy of results obtained with the WEST code, M. Govoni and G. Galli, J. Chem. Theory Comput. 14, 1895-1909 (2018).
• Implementation and validation of fully-relativistic GW calculations: Spin-orbit coupling in molecules, nanocrystals and solids, P. Scherpelz, M. Govoni, I. Hamada, and G. Galli, J. Chem. Theory Comput. 12, 3523-3544 (2016).

Bethe-Salpeter Equation (BSE) & Time-Dependent Density-Functional Theory (TDDFT)

• GPU-accelerated solution of the Bethe-Salpeter equation for large and heterogeneous systems, V. Yu, Y. Jin, G. Galli, and M. Govoni, J. Chem. Theory Comput. 20, 10899-10911 (2024).
• Excited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory, Y. Jin, V. Yu, M. Govoni, A. Xu, and G. Galli, J. Chem. Theory Comput. 19, 8689-8705 (2023).
• Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond, Y. Jin, M. Govoni, and G. Galli, npj Comput. Mater. 8, 238 (2022).
• Machine learning dielectric screening for the simulation of excited state properties of molecules and materials, S. Dong, M. Govoni, and G. Galli, Chem. Sci. 12, 4970-4980 (2021).
• Finite-field approach to solving the Bethe-Salpeter equation, N. L. Nguyen, H. Ma, M. Govoni, F. Gygi, and G. Galli, Phys. Rev. Lett. 122, 237402 (2019).

Quantum Defect Embedding Theory (QDET)

• Advances in quantum defect embedding theory, S. Chen, V. Yu, Y. Jin, M. Govoni, and G. Galli, J. Chem. Theory Comput. 21, 7797-7812 (2025).
• Quantum embedding theories to simulate condensed systems on quantum computers, C. Vorwerk, N. Sheng, M. Govoni, B. Huang, and G. Galli, Nature Comput. Sci. 2, 424-432 (2022).
• Green's function formulation of quantum defect embedding theory, N. Sheng, C. Vorwerk, M. Govoni, and G. Galli, J. Chem. Theory Comput. 18, 3512-3522 (2022).
• Quantum embedding theory for strongly-correlated states in materials, H. Ma, N. Sheng, M. Govoni, and G. Galli, J. Chem. Theory Comput. 17, 2116-2125 (2021).
• First-principles studies of strongly correlated states in defect spin qubits in diamond, H. Ma, N. Sheng, M. Govoni, and G. Galli, Phys. Chem. Chem. Phys. 22, 25522-25527 (2020).

Code Interoperability

• Strategies to predict and design spin defects for quantum technologies, G. Galli, A. Castillo, S. Chattaraj, S. Chen, M. Govoni, Y. Jin, J. Nagura, A. N. Poteshman, V. Somjit, M. Y. Toriyama, V. Yu, and C. Zhang, J. Chem. Theory Comput. 22, 7481-7495 (2026).
• Code interoperability extends the scope of quantum simulations, M. Govoni, J. Whitmer, J. de Pablo, F. Gygi, and G. Galli, npj Comput. Mater. 7, 32 (2021).

Hybrid Functionals

• Hybrid functionals with spatially resolved screening for excited-state calculations, J. Zhan and G. Galli, J. Chem. Theory Comput. 22, 8898-8909 (2026).
• Many-Body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange, V. Yu and M. Govoni, J. Chem. Phys. 163, 024111 (2025).
• Nonempirical range-separated hybrid functional with spatially dependent screened exchange, J. Zhan, M. Govoni, and G. Galli, J. Chem. Theory Comput. 19, 5851-5862 (2023).
• Dielectric dependent hybrid functionals for heterogeneous materials, H. Zheng, M. Govoni, and G. Galli, Phys. Rev. Mat. 3, 073803 (2019).
• Performance and self-consistency of the generalized dielectric dependent hybrid functional, N. Brawand, M. Govoni, M. Voros, and G. Galli, J. Chem. Theory Comput. 13, 3318-3325 (2017).
• Generalization of dielectric dependent hybrid functionals to finite systems, N. Brawand, M. Voros, M. Govoni, and G. Galli, Phys. Rev. X 6, 041002 (2016).
• Nonempirical range-separated hybrid functionals for solids and molecules, J. Skone, M. Govoni, and G. Galli, Phys. Rev. B 93, 235106 (2016).

Papers citing WEST

Papers citing WEST may be found in the citation list provided by Google Scholar.