Joint PhD Studentship:  DFT-based Simulations of Energy Materials and Quantum Computer Materials, Hong-Kong & Taiwan

Project 1 description (Catalyst): 
Metal catalysts applied on fuel cells will be computed by using density functional theory, such as VASP code. The research highlights are :
    1) O adsorption on bimetallic catalysts
    2) Oxygen reduction reactions; search for transition states
    3) Hammer Nørskov d band model 
    4) catalyst design

Project 2 description (Quantum Computer Materials): 
The aim of the project is to develop methods and study paramagnetic color centers in diamond and related wide band gap materials by means of
first-principles calculations. The research highlights are :
    1) Identification and characterization of color centers in diamond and related wide band gap materials.
    2) The electronic structure and the fine magnetic properties of the appropriate color centers will be determined by density functional theory methods.
    3) The effect of surface functionalization on diamond and related wide band gap materials.

Studentship Details:
The student will spend 1.5 years at NTHU, Taiwan under the supervision of Prof TY Chen and HY Chen, who has considerable experience in the field of computational heterogeneous catalysis. In the following 1.5 years at the City University of Hong Kong, the student will work with Dr A Hu and
Dr JP Chou.

Major responsibilities
The main responsibilities are to pursue your doctoral studies. A successful student  is expected to develop scientific concepts and communicate the outcomes verbally and in writing and gain the necessary skills to pursue a career in the future.

Position summary:
Full-time temporary employment. The position is limited to a maximum of 3 years of studies.

Qualifications
The successful candidates should have:
(1) Excellent communication skills in written and spoken English, i.e., TOEFL (over 79, internet based) or IELTS (6.5 or above); or other test scores (like band 6 in the Chinese mainland's College English Test, with a minimum score of 490) that may be regarded as equivalent.
(2) Master of Science in Physics, Chemistry or Materials Science
(3) Able to work independently and take responsibility for progress and quality of the projects
(4) Experience in computational/theoretical physics or chemistry or Material Science
(5) Basic concepts in quantum mechanics

Application procedure
Application materials should be sent electronically and be attached as compressed (zipped) pdf-files, as below:
• (Required) CV
• (Optional) Personal Statement (1-3 pages where you introduce yourself, motivation of applying for this position, present your qualifications, future goals...)
• (Optional) Research Plan/Focus. 
• (Optional) Previous research fields and main research outcomes. Copies of bachelor and/or master’s thesis.
• (Optional) Attested copies and transcripts of completed education, grades and other certificates, eg. TOEFL test results.
• (Optional) Two references that we can contact.

Starting Term: Spring 2018 or Fall 2018
Funding Notes: Contact Employer
Supervisor(s): 
Prof Alice Hu, [email protected] 
(Department of Mechanical and Biomedical Engineering, City University of Hong Kong)
Prof Tsan-Yao Chen, chencaeser@gmail.com
Prof Hsin-Yi Chen, Tiffany [email protected] 
(Department of Engineering and System Science, National Tsing Hua University, Taiwan)

Interested candidate please send your CV directly to [email protected] and [email protected]