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- 2023
-
Simulations of phase transitions and capacitance, of simple ionic fluids in porous electrodes
(2023)
In Electrochimica Acta
437.
- Contribution to journal › Article
-
Anisotropic protein-protein interactions in dilute and concentrated solutions
(2023)
In Journal of Colloid and Interface Science
629.
p.794-804
- Contribution to journal › Article
- 2022
-
Convergence of Electronic Structure Properties in Ionic Oxides Within a Fragment Approach
(2022)
In Frontiers in Chemistry
10.
- Contribution to journal › Article
-
Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate
(2022)
In Solid State Phenomena
338.
p.123-128
- Contribution to journal › Article
-
A program system for self-consistent embedded potentials for ionic crystals
(2022)
In Chemical Physics
562.
- Contribution to journal › Article
-
From dilute to concentrated solutions of intrinsically disordered proteins: Sample preparation and data collection
(2022)
In Methods in Enzymology
677.
p.457-478
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Benchmarking ANO-R basis set for multiconfigurational calculations
(2022)
In Electronic Structure
4(1).
- Contribution to journal › Article
-
From dilute to concentrated solutions of intrinsically disordered proteins : Interpretation and analysis of collected data
(2022)
In Methods in Enzymology
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Clustering and cross-linking of the wheat storage protein α-gliadin : A combined experimental and theoretical approach
(2022)
In International Journal of Biological Macromolecules
211.
p.592-615
- Contribution to journal › Article
-
Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments
(2022)
In Frontiers in Molecular Biosciences
9.
- Contribution to journal › Article