Marco Govoni

University of Modena and Reggio Emilia — Italy

Materials Science · Physical Sciences

29h-index3.1kcitations130works3.52yr avg
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Research Topics

Electronic and Structural Properties of Oxides(22), Diamond and Carbon-based Materials Research(18), Advanced Chemical Physics Studies(17), Semiconductor materials and devices(16), Spectroscopy and Quantum Chemical Studies(14)

Publications130 total

Defects at play: Shaping the photophysics and photochemistry of ice
Proceedings of the National Academy of Sciences·2025
Advances in Quantum Defect Embedding Theory
Journal of Chemical Theory and Computation·2025· 4 citedOpen Access
Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange
The Journal of Chemical Physics·2025· 1 cited
Photoactivation of Color Centers Induced by CW Laser Irradiation in Ion-Implanted Diamond
ACS Photonics·2025· 1 citedOpen Access
First-Principles Framework for the Prediction of Intersystem Crossing Rates in Spin Defects: The Role of Electron Correlation
Physical Review Letters·2025· 5 citedOpen Access
Dielectric-dependent range-separated hybrid functional calculations for metal oxides
Physical Review Materials·2025· 4 cited
Dielectric-Dependent Range-Separated Hybrid Functional Calculations for Metal Oxides
arXiv (Cornell University)·2025Open Access
GPU-Accelerated Solution of the Bethe–Salpeter Equation for Large and Heterogeneous Systems
Journal of Chemical Theory and Computation·2024· 6 citedOpen Access
Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange
arXiv (Cornell University)·2024Open Access
Photoactivation of color centers induced by laser irradiation in ion-implanted diamond
arXiv (Cornell University)·2024Open Access
Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory
The Journal of Physical Chemistry Letters·2024· 18 citedOpen Access
Excited State Properties of Point Defects in Semiconductors and Insulators Investigated with Time-Dependent Density Functional Theory
Journal of Chemical Theory and Computation·2023· 37 citedOpen Access
Excited state properties of point defects in semiconductors and insulators investigated with time-dependent density functional theory
arXiv (Cornell University)·2023Open Access
Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange
Journal of Chemical Theory and Computation·2023· 29 citedOpen Access
Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange
arXiv (Cornell University)·2023Open Access
Roadmap on electronic structure codes in the exascale era
Modelling and Simulation in Materials Science and Engineering·2023· 68 citedOpen Access
Enabling adaptive analytics at the edge with the Bi-Rex Big Data platform
Computers in Industry·2023· 25 citedOpen Access
Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz Schemes
Journal of Chemical Theory and Computation·2023· 18 citedOpen Access
Quantum simulations of Fermionic Hamiltonians with efficient encoding and ansatz schemes
arXiv (Cornell University)·2022Open Access
Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond
npj Computational Materials·2022· 40 citedOpen Access
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Frequent Co-authors

Giulia Galli(35), Ivan Marri(6), Stefano Ossicini(6), François Gygi(6), Mauro Tortonesi(6), Yu Jin(5), Cesare Stefanelli(5), Jonathan H. Skone(4), Benchen Huang(4), Niranjan Suri(4), He Ma(4), Alex P. Gaiduk(3), Tuan Anh Pham(3), Claudia Draxl(3), Matteo Giantomassi(3), Matthias Scheffler(3), Nan Sheng(3), Giulio Riberto(3), Alessandro Morelli(3), Francesco Paesani(2)