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

• 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

• 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.