computational materials science

Position Overview 

We invite applications for one Ph.D. position starting in September 2025, focusing on computational modeling of battery materials using at least one of the following methods: first-principles calculations (DFT), molecular dynamics (MD), and phase-field modeling. The research will target critical challenges in: 

1. Novel materials discovery for All-Solid-State Lithium Batteries and Solid Oxide Fuel Cells (SOFCs) using calculations;

I have a post-doc position for up to 18 months at Imperial College London, funded by Rolls Royce, working on dislocation mechanics modelling for problems occuring in materials for nuclear energy applications, full advert and application from the link below. Closing date 27th October 2022, starting as soon as possible, at least within the next 6 months. https://www.imperial.ac.uk/jobs/description/ENG02285/research-assistant-associate-mec

I have a post-doc position for 24 months at Imperial College London, funded by Rolls Royce, working on dislocation mechanics modelling for problems in nuclear materials, full advert and application from the link below. Closing date 14th November 2021, starting as soon as possible, at least within the next 6 months.

https://www.imperial.ac.uk/jobs/description/ENG01880/research-associate…

An immediate postdoctoral associate position with a tentative start date of Jan 15 is available in Advanced Hierarchical Materials by Design Lab at the University of Alabama with Prof. Kasra Momeni on multiscale modeling materials and processes. This project aims to develop multiscale models of alloys under extreme conditions, such as radiation, heat, and stresses, to develop new alloys. The postdoctoral researcher will lead several projects on material design using various techniques, such as molecular dynamics, phase-field, and CALPHAD.

Esteemed Colleagues,

The Max-Planck-Institut für Eisenforschung (Düsseldorf, Germany) offers a position in the department Structure and Nano-/Micromechanics of Materials (Prof. G. Dehm): PhD student or postdoc position in “Atomistic Computer Simulation of Grain Boundary Structure and Mechanics”

Understanding how grain boundaries influence plasticity will lead to significant advances in material design. In the context of the department’s research, the overarching aim of this PhD project is to connect grain boundary structures in fcc metals to physical properties.

https://doi.org/10.1039/D0TB00896F It is my privilege and honor to be highlighted as the Journal of Material Chemistry B's Emerging Investigators for 2020. Together with our group's young budding scientists, Chenxi Zhai, Tianjiao Li, and Haoyuan Shi, we review the discovery and design of next-generation bio-inspired materials by harnessing the virtual space in materials design: materials omics (materiomics), materials informatics, computational modelling and simulations, artificial intelligence (AI), and big data.

Dr. Yanqing Su's group in the Department of Mechanical and Aerospace Engineering at the Utah State University (USU) is looking for fully funded Ph.D. students in the field of materials in extreme environments using small-scale computational methods. Self-motivated individuals who have research experience in one or more of the following areas are strongly encouraged to apply for the Ph.D. positions in our group: