Fabian Schwarz
Postdoctoral position at Department of Chemistry - Ångström Laboratory; Structural Chemistry
- E-mail:
- fabian.schwarz@kemi.uu.se
- Visiting address:
- Lägerhyddsvägen 1
- Postal address:
- Box 538
751 21 Uppsala
- ORCID:
- 0000-0002-6798-3182
Keywords
- ab initio simulations
- molecular dynamics
- multiscale modeling
Research
I'm interested in materials modelling across scales, employing, amongst others,Molecular Dynamics, DFT and FEM simulations.
I also aim to contextualise the results of my research by stressing the implications on experiments and a general understanding of materials.
Publications
Recent publications
-
Vibrational water dynamics in sodium-based Prussian blue analogues
Part of The Journal of Physical Chemistry C, p. 21553-21559, 2025
- DOI for Vibrational water dynamics in sodium-based Prussian blue analogues
- Download full text (pdf) of Vibrational water dynamics in sodium-based Prussian blue analogues
-
Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
Part of Journal of Chemical Theory and Computation, p. 8669-8682, 2025
- DOI for Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
- Download full text (pdf) of Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
-
Part of ACS Applied Materials and Interfaces, 2025
-
pylimer-tools: A Python Package for Generating and Analyzing Bead-Spring Polymer Networks
Part of Journal of Open Research Software, 2025
- DOI for pylimer-tools: A Python Package for Generating and Analyzing Bead-Spring Polymer Networks
- Download full text (pdf) of pylimer-tools: A Python Package for Generating and Analyzing Bead-Spring Polymer Networks
-
Short-range charge ordering in Mn-doped LiFePO4
Part of Physical Review B, 2025
- DOI for Short-range charge ordering in Mn-doped LiFePO4
- Download full text (pdf) of Short-range charge ordering in Mn-doped LiFePO4
All publications
Articles in journal
-
Vibrational water dynamics in sodium-based Prussian blue analogues
Part of The Journal of Physical Chemistry C, p. 21553-21559, 2025
- DOI for Vibrational water dynamics in sodium-based Prussian blue analogues
- Download full text (pdf) of Vibrational water dynamics in sodium-based Prussian blue analogues
-
Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
Part of Journal of Chemical Theory and Computation, p. 8669-8682, 2025
- DOI for Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
- Download full text (pdf) of Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline Solids
-
Part of ACS Applied Materials and Interfaces, 2025
-
pylimer-tools: A Python Package for Generating and Analyzing Bead-Spring Polymer Networks
Part of Journal of Open Research Software, 2025
- DOI for pylimer-tools: A Python Package for Generating and Analyzing Bead-Spring Polymer Networks
- Download full text (pdf) of pylimer-tools: A Python Package for Generating and Analyzing Bead-Spring Polymer Networks
-
Short-range charge ordering in Mn-doped LiFePO4
Part of Physical Review B, 2025
- DOI for Short-range charge ordering in Mn-doped LiFePO4
- Download full text (pdf) of Short-range charge ordering in Mn-doped LiFePO4
Articles, review/survey
-
Part of Chemistry of Materials, p. 11359-11376, 2024
- DOI for Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
- Download full text (pdf) of Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces