Daniel Sebastiani

31PUBLICATIONS
41CO-AUTHORS
Chemical thermodynamics and energeticsElectrical energy storageStructure and dynamics of materialsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Organic semiconductors
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Publications (31)

|Jun 22, 2026
From Atomic Interactions to Molecular Miscibility and Philicity: Deciphering Enthalpic Driving Forces.

|May 20, 2026
Bridging Atomistic and Mesoscale Lithium Transport via Machine-Learned Force Fields and Markov State Models.

|Apr 25, 2026
Molecular Origins of Philicity: How Atomic Interactions Determine Miscibility and Diffusivity.

|Jan 15, 2026
Optimizing the sensitivity of the instantaneous entropy of mixing.

T Hanke, D Sebastiani

|Aug 19, 2025
A Radical-Cationic Covalent Organic Framework to Accelerate Polysulfide Conversion for Long-Durable Lithium-Sulfur Batteries.

Sijia Cao, Pouya Partovi-Azar, Jin Yang

|Aug 04, 2025
Azide Anion Interactions with Imidazole and 1-Methylimidazole in Dimethyl Sulfoxide.

Debkumar Rana, Anna Luisa Upterworth, Marc-Oliver Winghart

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Frequent Collaborators

7 joint publications

Martin Brehm

5 joint publications

Anna Luisa Upterworth

3 joint publications

Christoph Kirsch

3 joint publications

Christian Dreßler