Marco Govoni

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 21

Top Topics

Electron Transfer

Density Functional Theory

Atomic Force Microscopy

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Scientific data

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Yu Jin, Mariami Rusishvili, Marco Govoni, Giulia Galli
Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory. The journal of physical chemistry letters 15 (12) (2024)
Yu Jin, Mariami Rusishvili, Marco Govoni, Giulia Galli
Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory. The journal of physical chemistry letters (2024)
Jiawei Zhan, Marco Govoni, Giulia Galli
Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange. Journal of chemical theory and computation (2023)
Yu Jin, Victor Wen-Zhe Yu, Marco Govoni, Andrew C Xu, Giulia Galli
Excited State Properties of Point Defects in Semiconductors and Insulators Investigated with Time-Dependent Density Functional Theory. Journal of chemical theory and computation (2023)
Kevin Benchen Huang, Nan Sheng, Marco Govoni, Giulia Galli
Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz Schemes. Journal of chemical theory and computation 19 (5) (2023)
Kevin Benchen Huang, Nan Sheng, Marco Govoni, Giulia Galli
Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz Schemes. Journal of chemical theory and computation (2023)
Nan Sheng, Christian Vorwerk, Marco Govoni, Giulia Galli
Green's Function Formulation of Quantum Defect Embedding Theory. Journal of chemical theory and computation 18 (6) (2022)
Victor Wen-Zhe Yu, Marco Govoni
GPU Acceleration of Large-Scale Full-Frequency GW Calculations. Journal of chemical theory and computation 18 (8) (2022)
Han Yang, Marco Govoni, Arpan Kundu, Giulia Galli
Computational Protocol to Evaluate Electron-Phonon Interactions Within Density Matrix Perturbation Theory. Journal of chemical theory and computation 18 (10) (2022)
Casper W Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J Conduit, Shyam S Dwaraknath, Matthew L Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Süleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J Morris, Arash A Mostofi, Kristin A Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang
OPTIMADE, an API for exchanging materials data. Scientific data 8 (1) (2021)
Sijia S Dong, Marco Govoni, Giulia Galli
Machine learning dielectric screening for the simulation of excited state properties of molecules and materials. Chemical science 12 (13) (2021)
Han Yang, Marco Govoni, Arpan Kundu, Giulia Galli
Combined First-Principles Calculations of Electron-Electron and Electron-Phonon Self-Energies in Condensed Systems. Journal of chemical theory and computation (2021)
He Ma, Nan Sheng, Marco Govoni, Giulia Galli
Quantum Embedding Theory for Strongly Correlated States in Materials. Journal of chemical theory and computation 17 (4) (2021)
He Ma, Wennie Wang, Siyoung Kim, Man-Hin Cheng, Marco Govoni, Giulia Galli
PyCDFT: A Python package for constrained density functional theory. Journal of computational chemistry 41 (20) (2020)
He Ma, Marco Govoni, Francois Gygi, Giulia Galli
Correction to A Finite-Field Approach for GW Calculations beyond the Random Phase Approximation. Journal of chemical theory and computation 16 (4) (2020)
Han Yang, Marco Govoni, Giulia Galli
Improving the efficiency of G0W0 calculations with approximate spectral decompositions of dielectric matrices. The Journal of chemical physics 151 (22) (2019)
Marco Govoni, Milson Munakami, Aditya Tanikanti, Jonathan H Skone, Hakizumwami B Runesha, Federico Giberti, Juan de Pablo, Giulia Galli
Qresp, a tool for curating, discovering and exploring reproducible scientific papers. Scientific data 6 (2019)
Alex P Gaiduk, Tuan Anh Pham, Marco Govoni, Francesco Paesani, Giulia Galli
Electron affinity of liquid water. Nature communications 9 (1) (2018)
Marco Govoni, Giulia Galli
GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code. Journal of chemical theory and computation 14 (4) (2018)
Ryan L McAvoy, Marco Govoni, Giulia Galli
Coupling First-Principles Calculations of Electron-Electron and Electron-Phonon Scattering, and Applications to Carbon-Based Nanostructures. Journal of chemical theory and computation 14 (12) (2018)
He Ma, Marco Govoni, Francois Gygi, Giulia Galli
A Finite-Field Approach for GW Calculations beyond the Random Phase Approximation. Journal of chemical theory and computation 15 (1) (2018)