Fachbereich Mathematik und Informatik - Institut für Mathematik

Freie Universität Berlin; Deutschland; Vor Ort; EUR 60.000 - 76.000; Vollzeit

Benefits dieser Stelle

TV-L FU salary

Flexible working hours

30 days vacation

Office closed holidays

Zusammenfassung

Freie Universität Berlin invites applications for a Research assistant (postdoc) focusing on integrating machine learning with quantum chemical methods and molecular simulation. The role centers on developing ML-based neural-network ansatzes for variational quantum Monte Carlo and maintaining the DeepQMC software infrastructure.

You will supervise doctoral researchers and MSc students, contribute to scientific publications and funding proposals, and collaborate nationally and internationally

Qualifikationen

• Master's degree or equivalent and PhD in mathematics, computer science, physics, or related field.
• ≥4 years full-time academic research experience with publications in leading journals.
• International leadership in quantum Monte Carlo research.
• Familiarity with computational quantum chemistry methods.
• Experience developing ML pipelines.
• Strong knowledge of GPU-accelerated frameworks (JAX, PyTorch).
• Experience scaling software on HPC clusters.
• Experience managing open-source software projects and documentation.
• Teaching experience at universities or similar institutions.
• Ability to present research at international conferences.
• Gender and Diversity competence.

Aufgaben

• Contribute to research on integrating ML into quantum chemical methods and molecular simulation.
• Develop, apply and evaluate modern ML methods for quantum problems and simulations.
• Maintain, develop and document the DeepQMC software and infrastructure.
• Supervise doctoral and MSc students and develop independent research questions.
• Publish papers, present at conferences and contribute to funding proposals.

Kenntnisse

Machine learning software

ML pipelines

Research dissemination

Teaching experience

Conference presentations

Ausbildung

Master's degree or equivalent

PhD in maths/CS/physics or related

Tools

JAX

PyTorch

GPU-accelerated computing

HPC clusters

Open-source software

Jobbeschreibung

Research assistant (postdoc) (f/m/d) (883)

Department: Department of Mathematics and Computer Science

Contribution to research on the integration of machine learning into quantum chemical methods and molecular simulation. A particular focus will be on the development, application, and evaluation of modern machine-learning methods for quantum chemical problems and molecular simulations, with a specific emphasis on research into variational quantum Monte Carlo methods for molecular simulation using neural-network-based ansatzes.
The position will play a central role in the maintenance, further development, and documentation of the DeepQMC software and the associated development and simulation infrastructure. This includes the implementation and evaluation of new methods, the further development of existing functionalities, and ensuring sustainable and reproducible software development.
In addition, the position will involve the academic supervision of doctoral researchers and MSc students, as well as the development of independent scientific research questions and new project ideas. The employee will contribute to scientific publications, conference presentations, and third-party funding proposals, and will participate in national and international collaborations as well as other scientific activities of the research group.

The position includes teaching duties in accordance with the applicable regulations governing teaching obligations. The position is intended to support the individual's own academic qualification (habilitation).

Key Requirements

Completed university degree (Master's or equivalent) and PhD in mathematics, computer science, physics, or a related discipline.

• At least four years of full-time professional experience in academic research, as well as evidence of relevant expertise through publications in leading peer-reviewed scientific journals and experience in developing machine learning software, are required.
• Internationally leading research record in quantum Monte Carlo
• Familiarity with methods of computational quantum chemistry
• Experience in the development and application of machine-learning pipelines
• Strong knowledge of software frameworks for implementing GPU-accelerated computations, in particular JAX and PyTorch
• Knowledge of HPC environments and experience in efficiently scaling scientific software on computing clusters
• Experience in managing and further developing open-source software projects, as well as in creating and maintaining scientific and technical software documentation
• Teaching experience at universities or comparable academic institutions
• Presentation of own research results at international scientific conferences
• Gender and Diversity Competence

Benefits and Other Advantages

• Salary in line with the collective agreement for the civil service at the state level (TV-L FU), plus additional one-off annual payment
• Flexible working hours and mobile working by arrangement, where possible
• Thirty days of vacation (based on a five-day working week)
• Office closed on December 24 and December 31