PhD positions in computational materials science University

PhD positions in computational materials science at the University of Nebraska-Lincoln

The research group led by Prof. Dr. Vitaly Alexandrov at the University of Nebraska-Lincoln (UNL), USA, invites applications for multiple fully funded PhD student positions.

• Electrocatalysis:
  Evaluating the activity, selectivity, and structural stability of novel electrocatalysts.
• Photoelectrocatalysis:
  Unraveling the complex interfacial chemistry, charge‑transfer dynamics, and reactivity of semiconductor‑liquid interfaces.
• Complex Interfaces:
  Probing the fundamental structural and surface properties of complex‑oxide/liquid interfaces.
• Low‑Dimensional Phenomena:
  Exploring the optoelectronic and magnetic properties of 2D materials and heterostructures.

• A Bachelors or Masters degree in Chemistry, Physics, Materials Science, Chemical Engineering, or a closely related discipline.
• A strong foundation in electronic structure theory, solid‑state physics, or theoretical/quantum chemistry.
• Practical programming experience (preferably in Python) and familiarity with Linux environments and high‑performance computing (HPC) clusters.
• Excellent problem‑solving abilities, strong communication skills, and the capacity to work both independently and collaboratively within a diverse, multidisciplinary team.

• Prior experience with density functional theory (DFT), ab initio molecular dynamics (AIMD), or machine learning interatomic potentials (MLIPs).
• A solid conceptual background in electrochemistry.

Interested candidates should send an e‑mail with their resume and representative publications to valexandrov2[]unl.edu.
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