Oliviero Andreussi

11PUBLICATIONS
21CO-AUTHORS
Computational chemistryMathematical aspects of quantum and conformal field theory, quantum gravity and string theoryCatalysis and mechanisms of reactionsChemical thermodynamics and energeticsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (11)

|Oct 22, 2025
Coupling all-electron full-potential density functional theory with grid-based continuum embeddings.

Jakob Filser, Edan Bainglass, Karsten Reuter

|Oct 15, 2025
Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems.

Xin Chen, Jessica A Martinez B, Xuecheng Shao

|May 29, 2025
Automating the Analysis of Substrate Reactivity through Environment Interaction Mapping.

Thiago H da Silva, Jalen Lu, Zayah Cortright

|Sep 20, 2023
Thermodynamic and kinetic modeling of electrocatalytic reactions using a first-principles approach.

Vasanthapandiyan M, Shagun Singh, Fernanda Bononi

|Aug 01, 2023
Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings.

G Medrano, E Bainglass, O Andreussi

|Dec 27, 2021
Oxygen Evolution and Reduction on Two-Dimensional Transition Metal Dichalcogenides.

Naiwrit Karmodak, Luca Bursi, Oliviero Andreussi

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Frequent Collaborators

2 joint publications

Edan Bainglass

2 joint publications

Naiwrit Karmodak

1 joint publications

G Medrano

1 joint publications

Giacomo Prampolini