academic staff

Dr.Ir. Silvia V. Gaastra-Nedea is an expert in atomistic simulations of reactive systems and in the application of methods like Density Functional Theory (DFT), Monte Carlo (MC) and Reactive Force Field (ReaxFF) Molecular Dynamics (MD) on heat storage materials in general and thermo-chemical materials (TCM) in particular. She has a strong background in multiscale modeling and HPC computing. Her expertise on simulations for analysis of gas-surface interactions was used in multiple applications scaling from investigation of heat transfer in micro-nano channels to chemically reactive flows in aerospace applications. These publications had more than 87 citations in Scopus. Her expertise on heat storage involved building methodologies for investigating both phase change and thermochemical materials for compact heat storage. The publications on energy storage (more than 18) were published in top journals like Physical Chemistry Chemical Physics, Journal of Physical Chemistry C, Journal of Chemical Physics and Journal of Computational Chemistry.

GEM-Z 2.122
+31 40 247 5410

About CCER

The Center for Computational Energy Research  aims to explore pathways to future energy systems via computational simulations that complement experimental energy research. It is a joint collaboration between the Eindhoven University of Technology and NWO Institute DIFFER.

Dutch Institute for Fundamental Energy Research
TU/e Science Park
De Zaale 20
5612 AJ Eindhoven
The Netherlands

P.O. Box 6336
5600 HH Eindhoven
The Netherlands

+31 40 3334 999