Openings
We are actively looking for self-motivated Ph.D. students and research scholars who are interested in computational modeling for materials physics/chemistry and the general topics in AI4Science. You are welcome to get in touch if you agree with our group values:
- Our group is grounded in kindness and we strive to create an inclusive environment.
- We do not tolerate harassment or discrimination in any form.
- We value the importance of the methodology development & coding practice.
- We honor contributions from all group members.
- We ask for help and value direct communications (speaking > 20 sentences daily).
- We aim to tackle challenging scientific problems with a positive research mindset.
- We commit to acting with honesty & scientific integrity.
Graduate Students:
Interested in pursuing a PhD in science? We recommend you to watch the Seminar Talk before application. The presentation from Prof. Silvija Gradecak-Garaj is particularly useful. In general, we are actively looking for candidates. Please check the timeline for application.
- B.S./M.S. in physics/chemistry/computer science/materials science or related fields
- TOFEL ≥ 90 or IELTS ≥ 6.5. GPA ≥ 80%. GRE is optional but preferred.
- Please email (1) your CV and (2) a description of your research topics of interest, and indicate which semester you would like to apply.
- We encourage excellent candidates to apply for PhD Fellowships:
- NUS-SINGA Scholarship [no service commitments]
- A*STAR Scholarship [with service commitments]
- AI Singapore Scholarship [with service commitments]
- President’s Graduate Fellowship [by nomination]
- The PhD positions are well-funded in our group. We do not accept self-funded students (including CSC scholarships).
- What we offer:
- We are a new research group offering hands-on training and opportunities to collaboratively explore exciting research areas.
- Our computational group focuses on both methodological development and applications. We will have close collaborations with experimental researchers.
- As a collaborative team, we encourage our graduate students to thrive in interdisciplinary research environments, find their interests, and develop their careers.
Postdoctoral Scholars:
- We do not have specific postdoc openings at this moment. However, if you have strong interest in working with us, you are welcome to get in touch with CV + research interest.
- I apologize that I may not be able to respond to every email. If we do not have any opennings, I will keep your materials on file and reach out if specific openings arise at a future date.
- Regardless of the above openings, we always encourage excellent candidates to apply for Postdoctoral Fellowships:
- As an independent research fellow, you will enjoy the research freedom while collaborating with the group.
- We particularly recommend the application for Eric and Wendy Schmidt AI in Science Postdoctoral Fellowship. Please (1) read the eligibility and requirements; (2) get in touch if you have the preferred qualifications & strong interests working on AI4Science.
- Other fellowships are potentially available to apply (e.g., LKY Fellowship and NUS Society of Fellows). Generally, successful candidates are expected to graduate from top universities or prestigious PhD programs.
Contact: peichenzhong617@gmail.com
Preferred Qualifications
We are looking for candidates who have a background in some of the following areas:
- Solid foundation in thermodynamics & statistical mechanics, solid-state physics/chemistry, and/or quantum mechanics
- Practical experience with density functional theory calculations (e.g., VASP, Quantum Espresso, Q-Chem, PySCF)
- Proficiency in at least one mainstream deep learning framework (e.g., PyTorch, JAX)
- Proficiency in scientific computing with Python libraries
- Expertise in (atomistic) thermodynamic & kinetic simulations (e.g., Monte Carlo, molecular dynamics)
- Expertise in computational chemistry (e.g., rare-event sampling, reaction network, high-throughput computation)