PhD in Hydrogen–Defect Interactions in Circular Steels via Atomistic Simulation

Laplace Expert Ltd; Delft; Remote; EUR 36,000 - 45,000; Full time

Job summary

Delft University of Technology in the Netherlands seeks a PhD candidate to study hydrogen–defect interactions in circular steels using atomistic simulation. The PhD is part of the CIRHY programme and focuses on hydrogen embrittlement mechanisms in recycled steels.

The project will apply density-functional theory and machine-learned interatomic potentials to investigate trapping, segregation and interaction with defects, with a starting date in January 2027 and a four-year duration.

Qualifications

• Applicants should hold an MSc in materials science or engineering, physics, chemistry or a closely related discipline.
• Experience with density-functional theory or molecular dynamics is relevant; experience with machine-learned interatomic potentials is advantageous.

Responsibilities

• Study hydrogen–defect interactions in circular steels using atomistic simulation.
• Investigate hydrogen trapping, segregation and interaction with defects and tramp elements using DFT and machine-learned interatomic potentials.

Skills

Density-functional theory

Molecular dynamics

Machine-learned interatomic potentials

Atomistic simulation

Hydrogen embrittlement

Education

MSc in materials science or engineering, physics, chemistry or closely related discipline

Job description

PhD in Hydrogen–Defect Interactions in Circular Steels via Atomistic Simulation

Delft University of Technology · Faculty of Mechanical Engineering

Netherlands

Apply by 30 Oct 2026

About This Opportunity

Delft University of Technology is recruiting a PhD candidate to study hydrogen–defect interactions in circular steels using atomistic simulation. Applications close on 30 October 2026 at 23:59 Europe/Amsterdam.

The project uses density-functional theory and machine-learned interatomic potentials to investigate hydrogen trapping, segregation and interaction with defects and tramp elements in recycled steels. The work is part of the CIRHY programme on hydrogen embrittlement in circular steel.

hydrogen embrittlement circular steel DFT atomistic simulation machine-learned potentials

Level

PhD

Time Commitment

Full-time

Start Date

Jan 17, 2027

Duration

4 years

Reference Code

3874

Field

Atomistic Modelling of Hydrogen Embrittlement in Circular Steels

Specialization

Materials Science & Engineering

Organization Type

University

Funding & Compensation

Amount EUR 3204-4051 / Per Month

Funding Type Salary

Funding Status Paid

Period Per Month

Education

Applicants should hold an MSc in materials science or engineering, physics, chemistry or a closely related discipline.

Experience

Experience with density-functional theory or molecular dynamics is relevant; experience with machine-learned interatomic potentials is advantageous.

Technical Skills

Density-functional theory Molecular dynamics Machine-learned interatomic potentials Atomistic simulation Hydrogen embrittlement