# Marco Govoni

##### Argonne National Laboratory

Materials Science Division

9700 Cass Avenue, Building 241

Argonne, IL 60439

##### The University of Chicago

Institute for Molecular Engineering

5640 South Ellis Avenue

Chicago, IL 60637

Phone: (773) 834-7370

Email: mgovoni at uchicago edu

url: personal website

### Assistant Scientist, Argonne National Lab. & Visiting Scientist, University of Chicago

### Education

- Ph.D.. in Nanoscience and Nanotechnology, University of Modena and Reggio Emilia, Italy (2012)
- M.Sc. in Physics, University of Modena and Reggio Emilia, Italy (2008)
- B.Sc. in Physics, University of Modena and Reggio Emilia, Italy (2006)

### Professional Affiliations

- American Physical Society (APS)
- American Chemical Society (ACS)

### Areas of Interest

- Quantum simulations: Density Functional Theory, Many-Body Perturbation Theory
- Molecular Engineering: nanostructures, aqueous solutions, defects, carrier dynamics
- Applications: materials for energy, photovoltaics, photocatalysis, quantum information
- Scientific computing: software development and maintenance, massively scalable algorithms
- Scientific data: reproducibility of scientific results

### Experience

- 2016 – present, Assistant Scientist, Argonne National Lab & Visiting Scientist, University of Chicago
- 2014 – 2016, Postdoctoral Researcher, Argonne National Lab & University of Chicago
- 2012 – 2013, Postdoctoral Researcher, University of California Davis
- 2012, Research Fellowship, CINECA & University of Modena and Reggio Emilia

### Publications

**Marco Govoni**, and Giulia Galli

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

*J. Chem. Theory Comput.*accepted (2018)- Alex Gaiduk, Tuan Anh Pham,
**Marco Govoni**, Francesco Paesani, and Giulia Galli

*Electron affinity of liquid water*

*Nature Comm.*9, 247 (2018) - Hosung Seo, He Ma,
**Marco Govoni**, and Giulia Galli

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

*Phys. Rev. Materials*14, 1700198 (2017) - Ivan Marri,
**Marco Govoni**, and Stefano Ossicini

*Carrier Multiplication in Silicon Nanocrystals: Theoretical Methodologies and Role of the Passivation*

*Phys. Status Solidi C*1, 075002 (2017) - Nicholas P. Brawand,
**Marco Govoni**, Márton Vörös, and Giulia Galli

*Performance and self-consistency of the generalized dielectric dependent hybrid functional*

*J. Chem. Theory Comput.*13, 3318 (2017) - Tuan Anh Pham,
**Marco Govoni**, Robert Seidel, Stephen E. Bradforth, Eric Schwegler, and Giulia Galli

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

*Science Advances***3**(6), 1603210 (2017) - N. Brawand, M. Vörös,
**M. Govoni**, and G. Galli

*Generalization of dielectric dependent hybrid functionals to finite systems*

Phys. Rev. X**6**, 041002 (2016) - P. Scherpelz,
**M. Govoni**, I. Hamada, and G. Galli

*Implementation and Validation of Fully-Relativistic GW Calculations: Spin-Orbit Coupling in Molecules, Nanocrystals and Solids*

J. Chem. Theory Comput.**12**(8), 3523-3544 (2016) -
J. Skone,
**M. Govoni**, and G. Galli

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

Phys. Rev. B**93**, 235106 (2016) -
A. P. Gaiduk,
**M. Govoni**, R. Seidel, J. Skone, B. Winter, and G. Galli

*Photoelectron spectra of aqueous solutions from first principles*

J. Am. Chem. Soc. Commun.**138**, 6912 (2016) -
H. Seo,
**M. Govoni**, and G. Galli

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

Sci. Rep.**6**, 20803 (2016) -
I. Marri,
**M. Govoni**, and S. Ossicini

*First-principles calculations of electronic coupling effects in silicon nanocrystals: Influence on near band-edge states and on carrier multiplication processes*

Sol. Energ. Mat. Sol. C.**145**, 162 (2016) -
I. Marri,
**M. Govoni**, and S. Ossicini

*Carrier Multiplication in Isolated and Interacting Silicon Nanocrystals*

Nanotechnology and Photovoltaic Devices: Light Energy Harvesting with Group IV Nanostructures. 177 -202; Editors: J. Valenta and S. Mirabella (2015) [link] -
**M. Govoni**, and G. Galli

*Large scale GW calculations*

J. Chem. Theory Comput.**11**, 2680 (2015) [pdf] -
I. Marri,
**M. Govoni**, and S. Ossicini

*Carrier multiplication in silicon nanocrystals: ab-initio results*

Beilstein J. Nanotechnol.**6**, 343 (2015) -
I. Marri,
**M. Govoni**, and S. Ossicini

*Red-shifted carrier multiplication energy threshold and exciton recycling mechanisms in strongly interacting silicon nanocrystals*

J. Am. Chem. Soc.**136**, 13257 (2014) -
J. H. Skone,
**M. Govoni**, and G. Galli

*Self-consistent hybrid functional for condensed systems*

Phys. Rev. B**89**, 195112 (2014) -
**M. Govoni**, I. Marri, and S. Ossicini

*Carrier multiplication between interacting nanocrystals for fostering silicon-based photovoltaics*

Nature Photonics**6**, 672-679 (2012) -
**M. Govoni**, I. Marri, and S. Ossicini

*Auger recombination in Si and GaAs semiconductors: Ab initio results*

Phys. Rev. B**84**, 075215 (2011) -
**M. Govoni**, A. Benassi, and C. Calandra

*Role of Surface States in the Casimir Force Between Semiconducting Films*

Proceedings of the Ninth Conference on Quantum Field Theory under the Influence of External Conditions (QFEXT09); Editors: KA. Milton, M. Bordag, World Scientific (2009) [link]