## 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). ( )

### Papers using WEST

**Finite-Field Approach to Solving the Bethe-Salpeter Equation**

Ngoc Linh Nguyen, He Ma, Marco Govoni, Francois Gygi, and Giulia Galli

Phys. Rev. Lett. 122, 237402 (2019).

**A Finite-field Approach for GW Calculations Beyond the Random Phase Approximation**

He Ma, Marco Govoni, Francois Gygi, and Giulia Galli

J. Chem. Theory Comput. 15, 154 (2019).

**The role of defects and excess surface charges at finite temperature for optimizing oxide photoabsorbers**

Matteo Gerosa, Francois Gygi, Marco Govoni, and Giulia Galli

Nature Materials 17, 1122 (2018).

**Fundamental Principles for Calculating Charged Defect Ionization Energies in Ultrathin Two-Dimensional Materials**

Tyler J. Smart, Feng Wu, Marco Govoni, and Yuan Ping

Phys. Rev. Mat. 2, 124002 (2018).

**Coupling First-Principles Calculations of Electron–Electron and Electron–Phonon Scattering, and Applications to Carbon-Based Nanostructures**

Ryan L. McAvoy, Marco Govoni, and Giulia Galli

J. Chem. Theory Comput. 14, 6269 (2018).

**GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code**

Marco Govoni, and Giulia Galli

J. Chem. Theory Comput. 14, 1895 (2018).

**Electron affinity of liquid water**

Alex Gaiduk, Tuan Anh Pham, Marco Govoni, Francesco Paesani, and Giulia Galli

Nature Commun. 9, 237 (2018).

**Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies**

Hosung Seo, He Ma, Marco Govoni, and Giulia Galli

Phys. Rev. Mat. 1, 075002 (2017).

**Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid Functional**

N. Brawand, M. Govoni, M. Vörös, and G. Galli

J. Chem. Theory Comput. 13, 3318 (2017).

**Electronic Structure of Aqueous Solutions: Bridging the Gap Between Theory and Experiments**

Tuan Anh Pham, Marco Govoni, Robert Seidel, Stephen E. Bradforth, Eric Schwegler, and Giulia Galli

Science Advances 3(6), e1603210 (2017).

**Modelling heterogeneous interfaces for solar water splitting**

T.A. Pham, Y. Ping, and G. Galli

Nature Mat. 16, 401 (2017).

**Generalization of dielectric dependent hybrid functionals to finite systems**

N. Brawand, M. Vörös, M. Govoni, and G. Galli

Phys. Rev. X 6, 041002 (2016).

**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 (2016).

**Photoelectron spectra of aqueous solutions from first principles**

A. P. Gaiduk, M. Govoni, R. Seidel, J. Skone, B. Winter, and G. Galli

J. Am. Chem. Soc. Commun. 138, 6912 (2016).

**Nonempirical range-separated hybrid functionals for solids and molecules**

J. Skone, M. Govoni, and G. Galli

Phys. Rev. B 93, 235106 (2016).

**Designing defect spins for wafer-scale quantum technologies**

W. F. Koehla, H. Seo, G. Galli, and D. D. Awschalom

MRS Bullettin 40, 1146 (2015).

**Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies**

H. Seo, M. Govoni, and G. Galli

Sci. Rep. 6, 20803 (2016).

**Electronic Energy Levels and Band Alignment for Aqueous Phenol and Phenolate from First Principles**

D. Opalka, T.A. Pham, G. Galli, and M. Sprik

J. Phys. Chem. B 11, 9651 (2015).