Atomistic Computation of Phase Diagrams

Vor 4 Tagen


Bochum, Deutschland Ruhr Universität Bochum Vollzeit

The Chair of Atomistic Modelling and Simulation at ICAMS is looking for a

**research associate (m,f,x), for 4 years, 39.83 hours per week, TVL E13**:
Machine learning interatomic potentials enable the representation of atomic interactions with quantum mechanical accuracy. The efficiency of machine learning interatomic potentials allows for simulations with thousands of atoms and millions of time steps, which can be exploited for the computation of free energies. With the advertised position we are targeting the computation of complete multicomponent phase diagrams from machine learning interatomic potentials, including all relevant contributions to the free energy of the competing phases.

**extent**:

- full-time

**duration**:

- temporary

**beginning**:

- as soon as possible

10.02.2025

**Your tasks**:

- Theory of phase transformation and phase diagram calculation from atomic interactions
- Development of efficient strategies and algorithms for the computation of phase diagrams

**We expect an excellent or very good doctoral degree (PhD) in physics, chemistry, materials science or related disciplines and a strong expertise in code development, atomistic simulation, machine learning and statistical mechanics, in particular**:

- Background in atomistic theory
- Proven track record in thermodynamic simulation of materials
- Strong expertise in code development
- Experience with machine learning

**Our offerings**:

- Challenging and varied tasks with a high degree of personal responsibility
- Support from and collaboration with competent colleagues
- team-oriented collaboration in a committed, international and appreciative team
- a friendly and cooperative environment
- Options for location-flexible work

**Additional information**:
If the position is funded by third-party funds the employee has no teaching obligation.

German language courses are offered by the University Language Center (ZFA) in the field of German as a Foreign Language (DaF).

Prof. Dr. Ralf Drautz, Phone: +49234 32 29310

Travel expenses for interviews cannot be refunded.


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