美国匹兹堡大学招聘博士后—多相催化/DFT和原子模拟

美国匹兹堡大学招聘博士后—多相催化/DFT和原子模拟

Postdoctoral Researcher – Heterogeneous Catalysis / DFT & Atomistic

University of Pittsburgh

Date Posted: Posted on 9 November 2025

Location: United States (US)

Job Tags:

Catalysis, condensed matter, physics, Heterogeneous Catalysis, post-doc

The University of Pittsburgh invites applications for a one-year postdoctoral position in the Department of Mechanical Engineering and Materials Science, with a focus on heterogeneous catalysis and atomistic simulations.

Position description

The postdoc will work on computational studies of heterogeneous catalytic systems, with an emphasis on:

Density Functional Theory (DFT) calculations of reaction mechanisms and active sites

Atomistic simulations (e.g., structure optimization, surface reactions, diffusion)

Structure–property–activity relationships for catalytic materials

Experience or strong interest in machine learning / AI methods for materials and catalysis (e.g., ML potentials, surrogate models, data-driven screening, Gen AI) is highly desirable.

The position is for 12 months, with a preferred start date as soon as feasible (negotiable).

Qualifications

Ph.D. in chemical engineering, materials science, mechanical engineering, chemistry, physics, or a related field (completed by the start date)

Demonstrated expertise in DFT and atomistic simulations (e.g., VASP, Quantum ESPRESSO, CP2K, LAMMPS, etc.)

Strong background in heterogeneous catalysis, surface science, or related areas

Experience with Python or similar scripting languages for data analysis and workflow automation

Familiarity with ML/AI methods in computational materials or catalysis is a plus

Employment eligibility

Due to funding and administrative constraints, this position is open to:

U.S. citizens, or

Individuals currently authorized to work in the U.S. under OPT or J-1 status

Work location

The position is based at the University of Pittsburgh, Pittsburgh, PA.

Remote or hybrid arrangements may be considered, depending on project needs and university policy.

Application

Please send a single PDF file containing:

Cover letter (1–2 pages) describing your research experience, fit for the position, and availability

Curriculum vitae (including publication list)

Names and contact information of 2–3 references

to: [Please click the Apply button for the link or address] with subject line:

“Postdoc Application – Heterogeneous Catalysis / DFT”.

Review of applications will begin immediately and continue until the position is filled.

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