Research output per year
Research output per year
UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):
Fingerprint
Dive into the research topics where Computational Quantum & Molecular Dynamics is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Network
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
-
Björn Baumeier
- Mathematics and Computer Science, Scientific Computing
- Mathematics and Computer Science, Computational Quantum & Molecular Dynamics - Associate Professor
- ICMS Core member - Associate Professor
Person: UHD : Associate Professor, UD : Assistant Professor
-
Onur Caylak, MSc
- Mathematics and Computer Science, Computational Quantum & Molecular Dynamics - Former Doctoral Candidate
Person: Prom. : doctoral candidate (PhD)
-
Zhongquan Chen, MSc
- Mathematics and Computer Science, Computational Quantum & Molecular Dynamics - Doctoral Candidate
Person: Prom. : doctoral candidate (PhD)
-
Editorial: Many-Body Green’s Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems
Dvorak, M., Baumeier, B., Golze, D., Leppert, L. & Rinke, P., 21 Feb 2022, In: Frontiers in Chemistry. 10, 2 p., 866492.Research output: Contribution to journal › Editorial › Academic › peer-review
Open AccessFile3 Downloads (Pure) -
Ab initio modeling of excitons: from perfect crystals to biomaterials
Tirimbò, G. & Baumeier, B., 2021, In: Advances in Physics: X. 6, 1, 38 p., 1912638.Research output: Contribution to journal › Review article › Academic › peer-review
Open Access1 Citation (Scopus) -
Excited-State Geometry Optimization of Small Molecules with Many-Body Green's Functions Theory
Çaylak, O. & Baumeier, B., 9 Feb 2021, In: Journal of Chemical Theory and Computation. 17, 2, p. 879-888 10 p.Research output: Contribution to journal › Article › Academic › peer-review
Open Access5 Citations (Scopus)
Student theses
-
An Introductory Mathematical Overview of the Schrödinger Model of Quantum Mechanics
Author: Luttik, B., 17 Aug 2021Supervisor: Baumeier, B. (Supervisor 1)
Student thesis: Bachelor
File -
KMC modelling of light induced halide segregation in perovskite solar cells
Author: van Belois, A., 14 Jun 2021Supervisor: Bobbert, P. A. (Supervisor 1), Tao, S. (Supervisor 2), Baumeier, B. (Supervisor 2), Chen, Z. (Supervisor 2) & Gerritsen, R. H. J. (Supervisor 2)
Student thesis: Bachelor
File -
Using the Variational Quantum Eigensolver to go from Hartree-Fock to Full Configuration Interaction using a Hartree-Fock Superposition method on the H2O molecule
Author: Persoons, R. D. L., 13 Sep 2021Supervisor: Kokkelmans, S. J. J. M. F. (Supervisor 1) & Baumeier, B. (Supervisor 2)
Student thesis: Master
File