Stephan Mohr

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 8

Top Venues

Journal of chemical theory and computation

ACS omega

The journal of physical chemistry. B

The Journal of chemical physics

Universität Basel (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Universität Basel

Switzerland

PHD :: Departement Physik

Universität Basel

Switzerland

MSC :: Departement Physik

Publications

Rémi Pétuya, Abhishek Punase, Emanuele Bosoni, Antonio Pedro de Oliveira Filho, Juan Sarria, Nirupam Purkayastha, Jonathan J Wylde, Stephan Mohr
Molecular Dynamics Simulations of Asphaltene Aggregation: Machine-Learning Identification of Representative Molecules, Molecular Polydispersity, and Inhibitor Performance. ACS omega 8 (5) (2023)
Rémi Pétuya, Abhishek Punase, Emanuele Bosoni, Antonio Pedro de Oliveira Filho, Juan Sarria, Nirupam Purkayastha, Jonathan J Wylde, Stephan Mohr
Molecular Dynamics Simulations of Asphaltene Aggregation: Machine-Learning Identification of Representative Molecules, Molecular Polydispersity, and Inhibitor Performance. ACS omega 8 (5) (2023)
Stephan Mohr, Felix Hoevelmann, Jonathan Wylde, Natascha Schelero, Juan Sarria, Nirupam Purkayastha, Zachary Ward, Pablo Navarro Acero, Vasileios K Michalis
Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations. The journal of physical chemistry. B 125 (5) (2021)
Pablo Navarro Acero, Stephan Mohr, Marco Bernabei, Carlos Fernández, Beatriz Domínguez, James P Ewen
Molecular Simulations of Surfactant Adsorption on Iron Oxide from Hydrocarbon Solvents. Langmuir : the ACS journal of surfaces and colloids (2021)
Micael J T Oliveira, Nick Rübner Papior, Yann Pouillon, Volker Blum, Emilio Artacho, Damien Caliste, Fabiano Corsetti, Stefano De Gironcoli, Alin M Elena, Alberto García, Víctor Manuel García-Suárez, Luigi Genovese, William P Huhn, Georg Huhs, Sebastian Kokott, Emine Küçükbenli, Ask Hjorth Larsen, Alfio Lazzaro, Irina V Lebedeva, Yingzhou Li, David López-Durán, Pablo López-Tarifa, Martin Lüders, Miguel A L Marques, Jan Minar, Stephan Mohr, Arash A Mostofi, Alan O'Cais, Mike C Payne, Thomas Ruh, Daniel G A Smith, José M Soler, David A Strubbe, Nicolas Tancogne-Dejean, Dominic Tildesley, Marc Torrent, Victor Wen-Zhe Yu
The CECAM electronic structure library and the modular software development paradigm. The Journal of chemical physics 153 (2) (2020)
William Dawson, Stephan Mohr, Laura E Ratcliff, Takahito Nakajima, Luigi Genovese
Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding. Journal of chemical theory and computation 16 (5) (2020)
Stephan Mohr, Michel Masella, Laura E Ratcliff, Luigi Genovese
Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis. Journal of chemical theory and computation 13 (9) (2017)
Stephan Mohr, William Dawson, Michael Wagner, Damien Caliste, Takahito Nakajima, Luigi Genovese
Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library. Journal of chemical theory and computation 13 (10) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Stephan Mohr