Jiří Mareš

9PUBLICATIONS
27CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Transport properties and non-equilibrium processesFormal methods for softwareAtomic and molecular physicsCondensed matter characterisation technique development
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Publications (9)

|Sep 22, 2026
Water activity for n-component mixtures from molecular dynamics simulations via Kirkwood-Buff theory.

|Mar 11, 2026
Association and dissociation of Na+ between bulk, cluster and micelle sites in aqueous sodium decanoate solutions elucidated by 23Na NMR relaxation experiments and quadrupolar relaxation modelling.

Pär Håkansson, Pau Mayorga Delgado, Anne Selent

|Jun 13, 2025
Streamlined Postprocessing of NMR Structures with the Molecular Restrainer: A Universal Tool for High-Quality Protein-Ligand Models and Non-Standard Amino Acid Residues.

Jiří Mareš, Guneet Singh Tarang, Dmitriy Marin

|Aug 16, 2024
Getting the intermolecular forces correct: introducing the ASTA strategy for a water model.

Jiří Mareš, Pau Mayorga Delgado

|May 09, 2024
Gas Uptake and Thermodynamics in Porous Liquids Elucidated by 129Xe NMR.

Sarah E Mailhiot, Petri Peuravaara, Benjamin D Egleston

|Jan 11, 2024
Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions.

Sarah E Mailhiot, Katja Tolkkinen, Henning Henschel

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Frequent Collaborators

5 joint publications

Ville-Veikko Telkki

4 joint publications

Perttu Lantto

2 joint publications

Nønne L Prisle

2 joint publications

Sanna Komulainen