Postdoctoral researcher in theoretical chemistry

We are seeking a postdoctoral researcher to join the research group of Jiri Pittner at the J. Heyrovsky Institute of Physical Chemistry in Prague. Our project aims to advance the field of molecular dynamics simulations of photochemical processes by employing machine learning techniques.  The ML methods have the potential to accelerate often lengthy molecular dynamics simulations, while maintaining the accuracy of ab initio approaches.

The candidate will be involved in the development and implementation of machine learning methods for molecular dynamics with nonadiabatic and spin-orbit couplings as well as with their application to molecular dynamics simulations of photochemical processes relevant to material science and biochemistry. The project also involves international collaboration with other groups in the field.

The position is open from 1. 1. 2024 for two years. The ideal candidate will hold a PhD in Physics or Theoretical/ Computational chemistry. Experience with non-adiabatic molecular dynamics simulations and/or machine learning methods, and excellent computer skills (programming) are highly desirable. Prior experience with the Newton-X and/or MLAtom  programs is an advantage.

Type of contract: Temporary
Job status: Full-time

Duration: 1. 1. 2024 – 31. 12. 2025

Requirements:

• The candidate should have experience with performing non-adiabatic molecular dynamics simulations.
• Experience with machine learning methods is an advantage.
• User-level knowledge of Linux, shell scripting, programming (C++ experience is advantage), writing publications in LaTeX
• Required research experience in computational chemistry 1 - 4 years

To apply, please send your CV, brief summary of previous research, list of publications, names plus e-mail addresses of 1 - 2 references, a document proving that the applicant is/was working out of the Czech Republic for 2 years from the last 3 years  to recruitment(at)jh-inst.cas.cz. Please write in the subject line of your email SC2023_21.

Benefits
- 25 days paid leave of absence (holidays) per year + 3 days of paid sick-leave in addition  to the statutory insurance
- Flexible working-time, the possibility of part-time work, work-life balance
- Lunch vouchers
- Subsidy for sports and cultural activities
- Recreation subsidy, recreation subsidy for children
- Possibility of attending children groups of the CAS
- Possibility to use discounts in recreation centers of the CAS
- Sports goods rental, free parking, trade union library
- Language courses
- Attractive location
- Health and social insurance paid mandatory by the institute

Selection process

By providing us with your personal data in your CV, you have allowed J. Heyrovský Institute of Physical Chemistry to process and file your CV in the HR database. Your personal data will be used for the internal HR needs of the J. Heyrovský Institute of Physical Chemistry only. At the same time, you confirm herewith that the personal data as stated in the CV you have sent to us is true and accurate.