Faculty Profile

Oliviero Andreussi

Title
Assistant Professor
Department
Physics
College
College of Science

    

Education

PhD, Scuola Normale Superiore of Pisa, 2008.
Major: Chemical Physics
Dissertation Title: Water at Interfaces
Laurea, University of Pisa, 2003.
Major: Chemistry
Degree Specialization: Chemical Physics
Dissertation Title: Radiative and non-radiative decay rates of molecular excited states close to metal nanoparticles
MS, Scuola Normale Superiore of Pisa, 2003.
Major: Chemistry
Dissertation Title: Radiative and non-radiative decay rates close to complex metal aggregates

Current Scheduled Teaching*

PHYS 6950.763, Doctoral Dissertation, Fall 2022
PHYS 6940.775, Individual Research, Fall 2022

* Texas Education Code 51.974 (HB 2504) requires each institution of higher education to make available to the public, a syllabus for undergraduate lecture courses offered for credit by the institution.

Previous Scheduled Teaching*

CHEM 6950.773, Doctoral Dissertation, Spring 2022
PHYS 6950.750, Doctoral Dissertation, Spring 2022
CHEM 6940.773, Individual Research, Spring 2022
PHYS 6940.763, Individual Research, Spring 2022
PHYS 3910.001, Intermediate Computational Modeling of Physical Systems, Spring 2022 Syllabus SPOT
PHYS 4955.750, Senior Thesis Capstone, Spring 2022
PHYS 6950.763, Doctoral Dissertation, Fall 8W2 2021
PHYS 6950.763, Doctoral Dissertation, Fall 2021
PHYS 6940.775, Individual Research, Fall 2021
PHYS 4950.759, Senior Thesis, Fall 2021
PHYS 4955.705, Senior Thesis Capstone, Fall 2021
PHYS 6110.001, Statistical Mechanics I, Fall 2021 Syllabus SPOT
PHYS 6950.763, Doctoral Dissertation, Spring 2021
PHYS 6940.763, Individual Research, Spring 2021
PHYS 1710.001, Mechanics, Spring 2021 Syllabus SPOT
PHYS 1710.201, Mechanics, Spring 2021
PHYS 1710.202, Mechanics, Spring 2021
PHYS 1710.203, Mechanics, Spring 2021
PHYS 1710.204, Mechanics, Spring 2021
PHYS 1710.205, Mechanics, Spring 2021
PHYS 5910.782, Special Problems, Spring 2021
PHYS 6950.775, Doctoral Dissertation, Fall 2020
PHYS 6940.775, Individual Research, Fall 2020
PHYS 3510.001, Physics, Computation and Software Applications, Fall 2020 Syllabus SPOT
PHYS 4950.001, Senior Thesis, Fall 2020
PHYS 5910.775, Special Problems, Fall 2020
PHYS 5910.700, Special Problems, Summer 5W2 2020
PHYS 5910.700, Special Problems, Summer 5W1 2020
PHYS 6940.763, Individual Research, Spring 2020
PHYS 3510.001, Physics, Computation and Software Applications, Spring 2020 Syllabus
PHYS 6940.775, Individual Research, Fall 2019
PHYS 1710.005, Mechanics, Fall 2019 Syllabus SPOT
PHYS 1710.221, Mechanics, Fall 2019
PHYS 1710.222, Mechanics, Fall 2019
PHYS 1710.223, Mechanics, Fall 2019
PHYS 1710.224, Mechanics, Fall 2019
PHYS 1710.225, Mechanics, Fall 2019
PHYS 6940.763, Individual Research, Spring 2019
PHYS 1710.003, Mechanics, Spring 2019 Syllabus SPOT
PHYS 1710.207, Mechanics, Spring 2019 SPOT
PHYS 6940.775, Individual Research, Fall 2018
PHYS 1710.004, Mechanics, Fall 2018 Syllabus SPOT
PHYS 1710.216, Mechanics, Fall 2018
PHYS 1710.217, Mechanics, Fall 2018
PHYS 1710.218, Mechanics, Fall 2018
PHYS 1710.219, Mechanics, Fall 2018
PHYS 1710.220, Mechanics, Fall 2018
PHYS 5910.775, Special Problems, Fall 2018

* Texas Education Code 51.974 (HB 2504) requires each institution of higher education to make available to the public, a syllabus for undergraduate lecture courses offered for credit by the institution.

Published Publications

Published Intellectual Contributions

Book Chapter
Andreussi, O., Nattino, F., Hormann, N. (2021). Continuum Embedding Models for Electrolyte Solutions in First-Principles Simulations of Electrochemistry. Atomic-Scale Modelling of Electrochemical Systems. Wiley. https://www.wiley.com/en-us/Atomic+Scale+Modelling+of+Electrochemical+Systems-p-9781119605614
La Penna, G., Andreussi, O. (2018). When water plays an active role in electronic structure. Insights from first-principles molecular dynamics simulations of biological systems.. Other. Springer book on "Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes". (2nd Edition), . Springer. https://www.springer.com/us/book/9783319958422
Editorial
Frediani, L., Andreussi, O., Kulick, H. J. (2018). Coding Solvation: Challenges and Opportunities. International Journal of Quantum Chemistry. (119), e25839. Wiley. https://onlinelibrary.wiley.com/doi/full/10.1002/qua.25839
Journal Article
Karmodak,, Bursi, L., Andreussi, O. (2021). Oxygen Evolution and Reduction on Two-Dimensional Transition Metal Dichalcogenides. The Journal of Physical Chemistry Letters. 13(1), 58. https://doi.org/10.1021/acs.jpclett.1c03431
Karmodak, N., Andreussi, O. (2021). Oxygen Evolution on MoS2 Edges: Activation through Surface Oxidation. The Journal of Physical Chemistry C. 125, 10397. https://doi.org/10.1021/acs.jpcc.1c02210
Bononi, F. C., Chen, Z., Rocca, D., Andreussi, O., Hullar, T., Anastasio, C., Donadio, D. (2020). Bathochromic Shift in the UV−Visible Absorption Spectra of Phenols at Ice Surfaces: Insights from First-Principles Calculations. Journal of Physical Chemistry A. 124(44), 9288. https://dx.doi.org/10.1021/acs.jpca.0c07038
Hullar, T., Bononi, F. C., Chen, Z., Magadia, D., Palmer, O., Tran, T., Rocca, D., Andreussi, O., Donadio, D., Anastasio, C. (2020). Photodecay of guaiacol is faster in ice, and even more rapid on ice, than in aqueous solution. Environmental Science: Processes and Impacts. 22, 1666. https://doi.org/10.1039/D0EM00242A
Karmodak, N., Andreussi, O. (2020). Catalytic Activity and Stability of Two-Dimensional Materials for the Hydrogen Evolution Reaction. 5, 885. https://dx.doi.org/10.1021/acsenergylett.9b02689
Rojas, M. I., Andreussi, O., Gomez, C. G., Avalle, L. B. (2020). Kinetics and Mechanism of the Hydrogen Peroxide Reduction Reaction on a Graphite Carbon Nitride Sensor. Journal of Physical Chemistry C. 124(1), 336. https://doi.org/10.1021/acs.jpcc.9b07315
Nattino, F., Dupont, C., Marzari, N., Andreussi, O. (2019). Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations. Journal of Chemical Theory and Computation. 15(11), 6313. https://dx.doi.org/10.1021/acs.jctc.9b00552
Hörmann, N., Guo, Z., Ambrosio, F., Andreussi, O., Pasquarello, A., Marzari, N. (2019). Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water. npj Computational Materials. 5, 100. https://doi.org/10.1038/s41524-019-0238-4
Truscott, M., Andreussi, O. (2019). Field-Aware Interfaces in Continuum Solvation. Journal of Physical Chemistry B. 123, 3513. https://dx.doi.org/10.1021/acs.jpcb.9b01363
Katayama, Y., Nattino, F., Giordano, L., Hwang, J., Rao, R. R., Andreussi, O., Marzari, N., Shao-Horn, Y. (2019). An in situ surface-enhanced infrared absorption spectroscopy study of electrochemical CO2 reduction on coinage metals: Selectivity dependent on surface C-bound and O-bound reaction intermediates. Journal of Physical Chemistry C. 123(10), 5951. American Chemical Society. https://dx.doi.org/10.1021/acs.jpcc.8b09598
Hormann, N., Andreussi, O., Marzari, N. (2019). Grand potential calculations of electrochemical interfaces in implicit solvation model. The Journal of Chemical Physics. 150, 041730. American Institute of Physics. https://doi.org/10.1063/1.5054580
Andreussi, O., Hormann, N., Nattino, F., Fisicaro, G., Goedecker, S., Marzari, N. (2019). Solvent-aware interfaces in continuum solvation. Journal of Chemical Theory and Computation. 15(3), 1996. American Chemical Society. https://dx.doi.org/10.1021/acs.jctc.8b01174
Nattino, F., Truscott, M., Marzari, N., Andreussi, O. (2018). Continuum Models of the Electrochemical Diffuse Layer in Electronic-Structure Calculations. The Journal of Chemical Physics. 150, 041722. American Institute of Physics. https://aip.scitation.org/doi/10.1063/1.5054588
Andreussi, O., Fisicaro, G. (2018). Continuum Embeddings in Condensed-Matter Simulations. International Journal of Quantum Chemistry. (119), e25725. Wiley. https://onlinelibrary.wiley.com/doi/full/10.1002/qua.25725
Huang, J., Hormann, N., Oveisi, E., Loiudice, A., De Gregorio, G., Andreussi, O., Marzari, N., Buonsanti, R. (2018). Potential-induced nanoclustering of metallic catalysts during electrochemical CO2 reduction. Nature Communications. (9), 3117. Springer. https://www.nature.com/articles/s41467-018-05544-3
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Nardelli, M. B., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., Colonna, N., Carnimeo, I., Dal Corso, A.,, de Gironcoli, S.,, Delugas, P., DiStasio, R. A., Jr.,, Ferretti, A., Floris, A., Fratesi, G., Fugallo, G., Gebauer, R., Gerstmann, U., Giustino, F., Gorni, T., Jia, J., Kawamura, M., Ko, H., Kokalj, A., Kucukbenli, E., Lazzeri, M., Marsili, M., Marzari, N., Mauri, F., Nguyen, N. L., Nguyen, H., Otero-de-la-Roza, A., Paulatto, L., Ponce, S., Rocca, D., Sabatini, R., Santra, B., Schlipf, M., Seitsonen, A. P., Smogunov, A., Timrov, I., Thonhauser, T., Umari, P., Vast, N., Wu, X., Baroni, S. (2017). Advanced capabilities for materials modelling with QUANTUM ESPRESSO. Other. 29(46), .
Andreussi, O., Prandi, I. G., Campetella, M., Prampolini, G., Mennucci, B. (2017). Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?. Journal of Chemical Theory and Computation. 13(10), 4636-4648.
Genova, A., Ceresoli, D., Krishtal, A., Andreussi, O., DiStasio, Robert A., Jr.,, Pavanello, M. (2017). eQE: An open-source density functional embedding theory code for the condensed phase. International Journal of Quantum Chemistry. 117(16), .
Fisicaro, G., Genovese, L., Andreussi, O., Mandal, S., Nair, N. N., Marzari, N., Goedecker, S. (2017). Soft-Sphere Continuum Solvation in Electronic-Structure Calculations. Journal of Chemical Theory and Computation. 13(8), 3829-3845.
Fisicaro, G., Genovese, L., Andreussi, O., Marzari, N., Goedecker, S. (2016). A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments. Journal of Chemical Physics. 144(1), 014103. http://arxiv.org/abs/1509.00680 http://dx.doi.org/10.1063/1.4939125
Sementa, L., Andreussi, O., Goddard, William A., III,, Fortunelli, A. (2016). Catalytic activity of Pt-38 in the oxygen reduction reaction from first-principles simulations. Other. 6(18), 6901-6909.
Prandi, I. G., Viani, L., Andreussi, O., Mennucci, B. (2016). Combining Classical Molecular Dynamics and Quantum Mechanical Methods for the Description of Electronic Excitations: The Case of Carotenoids. Journal of Computational Chemistry. 37(11), 981-991.
Montemore, M. M., Andreussi, O., Medlin, J. W. (2016). Hydrocarbon adsorption in an aqueous environment: A computational study of alkyls on Cu(111). Journal of Chemical Physics. 145(7), .
Andreussi, O., Knecht, S., Marian, C. M., Kongsted, J., Mennucci, B. (2015). Carotenoids and Light-Harvesting: From DFT/MRCI to the Tamm-Dancoff Approximation. Journal of Chemical Theory and Computation. 11(2), 655-666.
Andreussi, O., Caprasecca, S., Cupellini, L., Guarnetti-Prandi, I., Guido, C. A., Jurinovich, S., Viani, L., Mennucci, B. (2015). Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles. Journal of Physical Chemistry A. 119(21), 5197-5206.
Timrov, I., Andreussi, O., Biancardi, A., Marzari, N., Baroni, S. (2015). Self-consistent continuum solvation for optical absorption of complex molecular systems in solution. Journal of Chemical Physics. 142(3), .
Fortunelli, A., Goddard, W. A., Sha, Y., Yu, T. H., Sementa, L., Barcaro, G., Andreussi, O. (2014). Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant. Other. 53(26), 6669-6672.
Andreussi, O., Marzari, N. (2014). Electrostatics of solvated systems in periodic boundary conditions. Physical Review B. 90(24), .
Dupont, C., Andreussi, O., Marzari, N. (2013). Self-consistent continuum solvation (SCCS): the case of charged systems.. The Journal of Chemical Physics. 139(21), 214110. http://www.ncbi.nlm.nih.gov/pubmed/24320367
La Penna, Giovanni,, Hureau, C., Andreussi, O., Faller, P. (2013). Identifying, By First-Principles Simulations, Cu[Amyloid-beta] Species Making Fenton-Type Reactions in Alzheimer's Disease. Journal of Physical Chemistry B. 117(51), 16455-16467.
Andreussi, O., Biancardi, A., Corni, S., Mennucci, B. (2013). Plasmon-Controlled Light-Harvesting: Design Rules for Biohybrid Devices via Multiscale Modeling. Nano Letters. 13(9), 4475-4484.
Andreussi, O., Dabo, I., Marzari, N. (2012). Revised self-consistent continuum solvation in electronic-structure calculations. Journal of Chemical Physics. 136(6), .
Andreussi, O., Marzari, N. (2012). Transport properties of room-temperature ionic liquids from classical molecular dynamics.. The Journal of Chemical Physics. 137(4), 044508. http://www.ncbi.nlm.nih.gov/pubmed/22852632
Ong, S. P., Andreussi, O., Wu, Y., Marzari, N., Ceder, G. (2011). Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations. Chemistry of Materials. 23(11), 2979-2986.
Delle Site, Luigi,, Ghiringhelli, L. M., Andreussi, O., Donadio, D., Parrinello, M. (2007). The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111). Other. 19(24), .
Andreussi, O., Donadio, D., Parrinello, M., Zewail, A. H. (2006). Non-equilibrium dynamics and structure of interfacial ice. Chemical Physics Letters. 426(1-3), 115-119.
Caricato, M., Andreussi, O., Corni, S. (2006). Semiempirical (ZINDO-PCM) approach to predict the radiative and nonradiative decay rates of a molecule close to metal particles. Journal of Physical Chemistry B. 110(33), 16652-16659.
Andreussi, O., Corni, S., Mennucci, B., Tomasi, J. (2004). Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape.. The Journal of Chemical Physics. 121(20), 10190--202. http://www.ncbi.nlm.nih.gov/pubmed/15549894

Awarded Grants

Contracts, Grants and Sponsored Research

Grant - Research
Andreussi, O., "CAREER: Multiscale and Machine Learning Approaches for Electrified Interfaces," Sponsored by NSF, Federal, $600000 Funded. (May 1, 2020April 30, 2025).
Andreussi, O. (Principal), Pavanello, M. (Co-Principal), "Collaborative Research: Elements: Flexible & Open-Source Models for Materials and Devices," Sponsored by NSF CSSI, Federal, $492078 Funded. (November 1, 2019October 31, 2022).
Andreussi, O., "Gas Hydrates Inhibition and Promotion: a First-principles High-throughput Approach," Sponsored by ACS Petroleum Research Fund, Private, $110000 Funded. (September 1, 2020August 31, 2022).
Andreussi, O., "Modeling solvation-driven rare-events: from drug design to protein folding," Sponsored by Welch Foundation, Private, $195000 Funded. (May 1, 2019April 30, 2022).
Mukherjee, S. (Principal), Andreussi, O. (Co-Principal), "Integrated Experimental and Computational Approach for Design and Synthesis of High- Performance Metallic Glass Electrocatalysts for Energy Conversion and Storage Technologies," Sponsored by UNT COS/CENG, University of North Texas, $10000 Funded. (June 16, 2021March 22, 2022).
Andreussi, O. (Principal), Cisneros, G. (Co-Principal), "Multiscale Approaches for Solvation in Room Temperature Ionic Liquids," Sponsored by College of Science, University of North Texas, $9000 Funded. (July 2019December 2019).
Andreussi, O. (Principal), Buongiorno Nardelli, M. (Co-Principal), "Materials in Paintings: a Computational Science Perspective," Sponsored by College of Science, University of North Texas, $5000 Funded. (July 2018December 2018).
Grant - Service
Andreussi, O. (Principal), Pavanello, M. (Co-Principal), "Environ and eQE: Modelling Complex Environments in Quantum Espresso," Sponsored by Psi-k, International, $3600 Funded. (January 1, 2021November 1, 2021).
Andreussi, O., "Embedding Hackathon," Sponsored by Oak Ridge Associated Universities, Private, $4000 Funded. (May 2019September 2019).
Andreussi, O. (Principal), "UNT Hackathon," Sponsored by Oak Ridge Associated Universities, Federal, $4000 Funded. (August 2018August 2018).
Sponsored Research
Andreussi, O., "Engineering of 2D materials for electro-catalysis," Sponsored by Oak Ridge National Lab, Center for Nanophase Materials Sciences, Federal, Funded. (February 2021January 2022).
Andreussi, O., "Modeling of exfoliation of 2D materials in electrochemical environments," Sponsored by Oak Ridge National Lab, Center for Nanophase Materials Sciences, Federal, Funded. (February 2021January 2022).
Andreussi, O., "Modeling of exfoliation of 2D materials in electrochemical environments," Sponsored by Oak Ridge National Lab, Center for Nanophase Materials Sciences, Federal, Funded. (February 2020January 2021).
Andreussi, O., "Modeling of exfoliation of 2D materials in electrochemical environments," Sponsored by Oak Ridge National Lab, Center for Nanophase Materials Sciences, Federal, Funded. (February 2019January 2020).
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Overall
Summative Rating
Challenge and
Engagement Index
Response Rate

out of 5

out of 7
%
of
students responded
  • Overall Summative Rating (median):
    This rating represents the combined responses of students to the four global summative items and is presented to provide an overall index of the class’s quality. Overall summative statements include the following (response options include a Likert scale ranging from 5 = Excellent, 3 = Good, and 1= Very poor):
    • The course as a whole was
    • The course content was
    • The instructor’s contribution to the course was
    • The instructor’s effectiveness in teaching the subject matter was
  • Challenge and Engagement Index:
    This rating combines student responses to several SPOT items relating to how academically challenging students found the course to be and how engaged they were. Challenge and Engagement Index items include the following (response options include a Likert scale ranging from 7 = Much higher, 4 = Average, and 1 = Much lower):
    • Do you expect your grade in this course to be
    • The intellectual challenge presented was
    • The amount of effort you put into this course was
    • The amount of effort to succeed in this course was
    • Your involvement in course (doing assignments, attending classes, etc.) was
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