Open PhD position in computational chemistry

University of Zurich; Zürich; Vor Ort; CHF 80’000 - 100’000; Vollzeit

Zusammenfassung

The University of Zurich invites applications for a PhD position focused on developing innovative methods for the study of catalytic compounds. The ideal candidate holds a Master's degree in chemistry or related fields, possesses strong programming and theoretical skills, and is eager to contribute to groundbreaking research in a collaborative environment.

Leistungen

Access to supercomputers

Funding for conferences and summer schools

Dynamic research environment

Qualifikationen

• Excellent Master’s degree in relevant field.
• Strong programming skills and knowledge in relevant subjects.
• Ability to learn autonomously and collaborate effectively.

Aufgaben

• Focus on developing advanced methods for analyzing catalytic compounds.
• Create dynamic methods for reaction mechanisms and environmental effects.
• Collaborate with experimental and computational research groups.

Kenntnisse

Programming skills

Knowledge of electronic structure theory

Molecular dynamics

Catalysis

Machine learning

Ausbildung

Master's degree in chemistry, interdisciplinary natural sciences, or physics

Tools

CP2K package

Jobbeschreibung

Job Description:

Your responsibilities

The PhD project will focus on developing and applying novel, accurate approaches for studying functional catalytic compounds. A potential direction involves creating advanced dynamic methods for detailed and realistic analysis of reaction mechanisms and networks, considering environmental effects under catalytic conditions. This includes developing enhanced sampling techniques and machine learning approaches.

Our group has extensive experience in modeling reactions using DFT-MD, catalysis (e.g., water splitting), spectroscopy, excited states, and developing methodologies within the CP2K package.

The project may involve collaboration with experimental and computational groups, such as within the NCCR Catalysis.

Your profile

The candidate should hold an excellent Master’s degree in chemistry, interdisciplinary natural sciences, physics, or related fields, with strong English skills and the ability to learn autonomously. The ideal candidate will be creative, ambitious, motivated, with strong programming skills, and good knowledge of electronic structure theory, (ab initio) molecular dynamics, catalysis, and machine learning.

What we offer

We provide a dynamic, inspiring environment in a new building with advanced resources and research facilities, access to supercomputers, and opportunities for interdisciplinary collaboration. Funding for participation in summer schools, conferences, and similar activities is available.