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)

• 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.