Personal profile
About
Dr. Oliviero Andreussi joined Boise State University in 2022 and is currently an Associate Professor with the Department of Chemistry and Biochemistry. He holds a Ph.D. in Physical Chemistry from Scuola Normale Superiore in Italy and a Master and Bachelor double degree in Chemistry from Scuola Normale Superiore and the University of Pisa. Dr. Andreussi’s work is within the field of computational chemistry and materials science with research interests in the development of computational models within the fields of chemistry, biophysics and materials. This includes working within plasmonics, condensed matter, and machine learning. He is the author of several publications with 3307 total citations and an h-index of 20 (from Web of Science, July 2021). Dr. Andreussi is also a reviewer for several journal publications, including Physical Review Materials, NPJ-Computational Materials, and Physical Review Letters to name a few.
External positions
Assistant Professor, University of North Texas
1 Jan 2018 → 1 Jan 2022
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Collaborations and top research areas from the last five years
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ACED: Graph Representations of Atomistic Simulations for Solvent Design
Andreussi, O. (PI), Serra, E. (CoPI), Meister, K. (CoPI) & Cyran, J. (CoPI)
15/06/25 → 31/05/27
Project: Research
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CAREER: Multiscale and Machine Learning Approaches for Electrified Interfaces
Andreussi, O. (PI)
1/12/22 → 31/05/26
Project: Research
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Collaborative Research: Elements: Flexible & Open-Source Models for Materials and Devices
Andreussi, O. (PI)
1/11/22 → 31/12/23
Project: Research
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CAREER: Multiscale and Machine Learning Approaches for Electrified Interfaces
Andreussi, O. (PI)
1/03/20 → 31/12/22
Project: Research
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Dynamic Metrics to Validate the Use of Machine-Learned Interatomic Potential for Dynamic Sampling
Gadjagboui, B. B. I., Khan, M. S. & Andreussi, O., Feb 2026, WSDM 2026 - Proceedings of the 19th ACM International Conference on Web Search and Data Mining. p. 1374-1375 2 p. (WSDM 2026 - Proceedings of the 19th ACM International Conference on Web Search and Data Mining).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Open Access -
Automating the Analysis of Substrate Reactivity through Environment Interaction Mapping
da Silva, T. H., Lu, J., Cortright, Z., Mulumba, D., Khan, M. S. & Andreussi, O., 9 Jun 2025, In: Journal of Chemical Information and Modeling. 65, 11, p. 5395-5410 16 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Coupling all-electron full-potential density functional theory with grid-based continuum embeddings
Filser, J., Bainglass, E., Reuter, K. & Andreussi, O., 14 Nov 2025, In: Journal of Chemical Physics. 163, 16, 164103.Research output: Contribution to journal › Article › peer-review
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Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems
Chen, X., Martinez B, J. A., Shao, X., Riera Riambau, M., Andreussi, O., Paesani, F. & Pavanello, M., 28 Oct 2025, In: Journal of Chemical Theory and Computation. 21, 20, p. 10340-10352 13 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
Understanding Structure-Composition-Property Relationships of Ni-P Bulk Metallic Glasses
Khan, M. S., Artrith, N. & Andreussi, O., 23 Oct 2025, In: Journal of Physical Chemistry C. 129, 42, p. 19065-19073 9 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations