Jobangebot connecticum Job-1764607
Deutsches Zentrum für Luft- und Raumfahrt (DLR)
Jobdatum: 01. Oktober 2024
Info zum Arbeitgeber
Deutsches Zentrum für Luft- und Raumfahrt (DLR)
Wissenschaft & Forschung, Luft- und Raumfahrt, Energie, Verkehr, Sicherheit, Digitalisierung
Firmensprache
Deutsch, Englisch
Gründungsjahr
1907
Mitarbeiter
10.001 - 50.000
Branche
Energie, Forschung, IT Hardware, Luft- und Raumfahrttechnik, Sicherheit, Transport und Verkehr
Kontakt
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Homepage
DLR.de
Karriere-Website
DLR.de/jobs
Mehr Jobangebote von Deutsches Zentrum für Luft- und Raumfahrt (DLR)
Course paper/final thesis Enter the fascinating world of the German Aerospace Center (Deutsches Zentrum für Luft- und Raumfahrt; DLR) and help shape the future through research and innovation! We offer an exciting and inspiring working environment driven by the expertise and curiosity of our 11,000 employees from 100 nations and our unique infrastructure. Together, we develop sustainable technologies and thus contribute to finding solutions to global challenges. Would you like to join us in addressing this major future challenge? Then this is your place! For our Institute of Materials Research in Cologne we are looking for a Student (f/m/x) in Chemistry, Material Science, Physics or similar Master Thesis: “Hybrid Quantum Simulation of Quantum-Classical non-Adiabatic Dynamics in Materials” What to expect: Within the realm of condensed matter, a crucial challenge lies in the rigorous description of chemical phenomena. Efficient computational characterization of the electronic structure is essential to strengthen our comprehension of materials behavior. Quantum computers enable efficient simulations of quantum mechanical systems. Consequently, the use of quantum simulations to predict electronic systems is expected to pave the way towards the exploration of diffusion pathways, energy barriers, and rate constants. These premises hold out the prospect of reaching unprecedented accuracy on an atomic scale.
Non-adiabatic mixed quantum-classical dynamic methods belong to the computational techniques for quantum chemistry and condensed matter to study the time-evolution of the electronic wave function through several electronic states. Such processes are modeled by considering the coupling between electronic and nuclear states that exists beyond the adiabatic description. Within these approaches, the propagation of the electronic wave function is treated quantum mechanically while the one of the nuclear wave function is treated classically. It is then straightforward to partition and separately treat these two propagations on a classical- and a quantum computer.
This hybrid approach provides a comprehensive framework for simulating non-adiabatic quantum phenomena. This work will be based on the readjustment of a mixed quantum-classical dynamic method based on an existing fictive model to real-life applications (H2, H2O, HCl dissociation). Doing so, the candidate will characterize the electronic properties of the molecular systems by analyzing the population of the electronic states involved in non-adiabatic processes.
The thesis will be doubly supervised by a chemical engineer with many years of experience in the classical simulation of non-adiabatic molecular dynamics, who will be available to advise on applications, and a physicist with extensive expertise in the quantum simulation of dynamic processes, who will instruct the algorithmic part of the thesis. The thesis will be supervised and carried out in English.
What we expect from you:
What we offer: DLR stands for diversity, appreciation and equality for all people. We promote independent work and the individual development of our employees both personally and professionally. To this end, we offer numerous training and development opportunities. Equal opportunities are of particular importance to us, which is why we want to increase the proportion of women in science and management in particular. Applicants with severe disabilities will be given preference if they are qualified. Further information: Starting date: immediately
Duration of contract: 6 months Type of employment: Part-time Remuneration: up to German 05 TVöD
Vacancy-ID: 96927
Contact: Dr, Eric Breitbarth, Institute of Materials Research Tel.: ++49 2203 601-2504 |
Student (f/m/x) in Chemistry, Material Science, Physics or similar