Molecular and Material Modeling Lab
Research Field
Dr. Jer-Lai Kuo’s research interests include First-Principle Studies of Molecular systems and Materials and Application of Artificial Intelligence in Material Discovery/Design.
Dr. Jer-Lai Kuo’s career experience is listed below:
Research Fellow, Institute of Atomic and Molecular Science, Academia Sinica, Taiwan (2014.3–)
Associate Research Fellow, Institute of Atomic and Molecular Science, Academia Sinica, Taiwan (2009.4)
Assistant Professor, Nanyang Technological University, Singapore (2004.12)
Postdoctoral Fellow, University of Pennsylvania, USA (2003.1)
We are a vibrant research group with research interests in computational physics and chemistry. Our lab in IAMS of Academia Sinica locates in the campus of National Taiwan University. Our group members comes from different parts of the world.
Molecular and Material Modeling Lab
Young Research Award, School of Physical & Mathematical Science, Nanyang Technological University, Singapore (2008)
Young Research Award, Foundational For Advancement of Outstanding Scholarship, Taiwan (2009)
Distinguish Lectureship Award in Physical Chemistry by Chemical Society of Japan, March 2011
Career Development Award, Academia Sinica, Jan 2011
Distinguish Lectureship Award in Theoretical Chemistryby Chemical Society of Japan, March 2012
Junior Researcher Award, Academia Sinica, June 2012
Young Scholars' Creativity Award, Foundational for Advancement of Outstanding Scholars, Taiwan, July 2013
Promsing Scientist Award of CMOA, France, December 2013
Young Scholar Award, Shui-Mu Foundation of Chemistry, Taiwan, April 2014
Mid-career Award, Asian Consortium on Computational Materials Science, Japan, September 2016
Asia Special Lecture Award in Theoretical Chemistry, Chemical Society of Japan, March 2019
Presidential Scholar Award, Academia Sinica, Taiwan, August 2022
Outstanding Research Award, National Science and Technology Council, Taiwan, 2024
Ph.D., Chemical Physics, 2003, Ohio State University, USA
Job Description
In the project, we apply deep-learning neural network potential (DL-NNP) to explore structures and reactions in hydrogen-bonded systems, sugars and peptides with first-principle accuracy.
The following two short YT videos prepared by our Ph.D students should be useful.
On peptides: https://youtu.be/ODr-faZ2vEA
On Sugars: https://youtu.be/B8HzajR9gsk
Preferred Intern Educational Level
The interns should have background in physics, chemistry or related fields with sufficient background knowledge on physical chemistry.
Skill sets or Qualities
Experience in using python for scientific programming is extremely useful.
Job Description
In this project, we work with several experimental teams around the world to use state-of-the-art apparatus to measure vibrational spectra of small-sized molecules. Our role is to perform quantum chemistry simulations to understand the structures/reactions of molecular systems of astrochemically important species. In the following two scientific events, you can find research activities and direction of our collaborators.
https://ao.iams.sinica.edu.tw/site/YPLEE2024
https://ao.iams.sinica.edu.tw/site/FWMS2024/
Preferred Intern Educational Level
The interns should have background in physics, chemistry or related fields with sufficient background knowledge in quantum physics to understand on the application of vibrational spectroscopy to understand molecular structure.
Skill sets or Qualities
Working experience in using python and Linux is extremely useful.