Computational Chemistry Laboratory
Research Field
Prof Cheng-chau Chiu obtained this BSc, MSc and PhD from the Technische Universität München, Germany, in 2008, 2010, and 2015, respectively. After graduation, he worked as a postdoc at the Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan, before joining the faculty of the Department of Chemistry at National Sun Yat-sen Univerisity in 2020. Prof Chiu combines quantum chemical calculations with kinetic and thermodynamic modeling to study chemical reactions and phenomena of interest.
A non-negligible part of modern chemical research is dealing with computational simulations. Our group is applying methods and models from computational chemistry to study chemical systems of interest, e.g. gas sorption or catalysis and other surface processes, just to name some examples. One the one hand, we are dealing with application-oriented research. Here we use quantum chemistry programs to investigate the energy profile of a reaction and use these data to model the kinetic and the thermodynamic behavior of a system. One the other hand, we also deal with some (simple) methodological aspects of simulations, e.g., how to convert the calculated energies for a complex system into macroscopic observables in both an effective and accurate way.
Kinetic Modeling, Catalysis, Quantum chemical Calculations, Surface Chemistry
- Young Scholars Fellowship Program (Einstein Program) Ministry of Science and Technology, Taiwan (2020)
- Distinguished Lectureship Award, Chemical Society of Japan Asian International Symposium (2023)
- Ta-You Wu Memorial Award, National Science and Technology Council (2025)
Technische Universität München, Chemistry Department, PhD (2010-2015)
Technische Universität München, Chemistry Department, MSc (2008-2010)
Technische Universität München, Chemistry Department, BSc (2005-2008)
Job Description
See above.
Preferred Intern Educational Level
Currently enrolled Master or PhD students in Chemistry, Chemical Engineering, Materials Science, Physics, or closely related fields.
Skill sets or Qualities
The successful candidate should have:
- A foundational understanding of physical chemistry, thermodynamics, and chemical kinetics.
- Strong problem-solving abilities and the capacity to conduct independent research.
- Good scientific communication and writing skills.
The following points are not required but desirable but not essential:
- Experience with computational chemistry or solid-state physics software packages.
- Familiarity with programming or scripting languages for data analysis and workflow automation.
Internship-related fee required by the school/institution
Interns who conduct their internship on campus must apply as visiting students at least 1 month before their arrival. They are required to pay the fees listed on this page
<https://oia.nsysu.edu.tw/p/412-1308-20683.php?Lang=en>
and complete registration/leaving procedures. Please note that NSYSU does not provide on-campus housing for visiting students. Interns will have to look for off-campus housing by themselves. Off-campus housing resources can be found on this page
<https://oia.nsysu.edu.tw/p/412-1308-20683.php?Lang=en>