Onderzoeksoutput per jaar
Onderzoeksoutput per jaar
Groene Loper 5, Department of Mathematics and Computer Science
5612 AP Eindhoven
Nederland
P.O. Box 513, Metaforum
5600 MB Eindhoven
Nederland
Our research is focused on the development and application of multiscale simulation approaches for the study of complex molecular materials. A core activity concentrates on problems related to modeling of charge and energy transfer processes in soft matter systems, with relevance to energy research. Other research lines include, e.g., studies of (disorderd) assemblies of biomolecules and super-coarse-grained modeling of soft granular materials.
with diverse backgrounds comprising mathematics, solid-state physics, chemistry, biology, or nanotechnology engineering
Typically, we employ large scale computer simulations linking quantum chemistry, classical Molecular Dynamics at all-atom and coarse-grained levels, and rate-based models. We are actively developing methods in these areas with the biggest emphasis currently being on the adaptation of Many-Body Green’s Functions Theory (GW-BSE) for molecular systems and its use in hybrid quantum-classical simulation setups. All methods are implemented in the XTP library of the open-source VOTCA package.
Persoon: UHD : Universitair Hoofddocent, UD : Universitair Docent
Persoon: Prom. : Promovendus
Persoon: UD : Universitair Docent
Onderzoeksoutput: Scriptie › Dissertatie 1 (Onderzoek TU/e / Promotie TU/e)
Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review
Onderzoeksoutput: Scriptie › Dissertatie 1 (Onderzoek TU/e / Promotie TU/e)
Baumeier, B. (Ontwerper), Renaud, N. (Ontwerper), Scharpach, W. (Ontwerper), Sundaram, V. (Ontwerper), Çaylak, O. (Ontwerper), Tirimbò, G. (Ontwerper), Junghans, C. (Ontwerper), Brown, J. (Ontwerper), Zapata Ruiz, F. (Ontwerper), Wehner, J. (Ontwerper), Gerritsen, R. H. J. (Ontwerper), Bernhardt, M. (Ontwerper) & Rosenberger, D. (Ontwerper), Zenodo, 19 sep. 2021
Dataset
Baumeier, B. (Bijdrager), Wehner, J. (Bijdrager), Renaud, N. (Bijdrager), Zapata Ruiz, F. (Ontwerper), Halver, R. (Bijdrager), Madhikar, P. (Bijdrager), Gerritsen, R. H. J. (Ontwerper), Tirimbò, G. (Bijdrager), Sijen, J. G. (Ontwerper), Rosenberger, D. (Bijdrager), Brown, J. S. (Bijdrager), Sundaram, V. (Bijdrager), Krajniak, J. (Bijdrager), Bernhardt, M. P. (Bijdrager) & Junghans, C. (Bijdrager), Zenodo, 16 jul. 2024
DOI: 10.5281/zenodo.12750697, https://zenodo.org/records/12750697
Dataset
Baumeier, B. (Ontwerper), Renaud, N. (Ontwerper), Scharpach, W. (Ontwerper), Sundaram, V. (Ontwerper), Çaylak, O. (Ontwerper), Tirimbò, G. (Ontwerper), Junghans, C. (Ontwerper), Brown, J. (Ontwerper), Zapata Ruiz, F. (Ontwerper), Wehner, J. (Ontwerper), Gerritsen, R. H. J. (Ontwerper), Bernhardt, M. (Ontwerper) & Rosenberger, D. (Ontwerper), Zenodo, 2 jun. 2023
DOI: 10.5281/zenodo.7998795, https://zenodo.org/record/7998795
Dataset
Chen, Z. (Spreker)
Activiteit: Types gesprekken of presentaties › Aangemelde presentatie › Wetenschappelijk
Scriptie/Masterproef: Bachelor
Scriptie/Masterproef: Bachelor
Scriptie/Masterproef: Bachelor