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  • April 02nd, 2023

    Wanted: Postdoctoral Scholar (reaction dynamics)

    We are seeking a postdoctoral scholar to investigate the decomposition mechanisms of energetic molecules and the hypergolic processes of ionic liquids. The work is supported by the Department of Defense and involves close collaboration with experiments supervised by Dr. Ralf Kaiser ( Successful applicants should have a strong background in one or more of the following: quantum chemistry, nonadiabatic dynamics, and molecular dynamics.

  • January 30th, 2023

    Wanted: Postdoctoral Scholar (enhanced sampling)

    We are looking for a postdoctoral scholar to investigate the passive permeation of a peptide through lipid bilayers in the presence of permeation enhancers. The work is supported by Eli Lilly and Company ( Successful applicants should have a strong background in one or more of the following: molecular dynamics, enhanced sampling, and statistical mechanics.

  • January 18th, 2023

    Graduate Students and Undergraduate Researchers

    If you are interested in conducting graduate/undergraduate research in our group, please contact Prof. Rui Sun ( with a letter of interest.


2023 Jan

National award to advance peptide drug development

A University of Hawaiʻi at Mānoa Department of Chemistry professor is joining forces with scientists from Eli Lilly and Company, a Fortune 500 company and one of the world’s largest pharmaceutical companies, to invent a way to administer peptides orally.

2022 Aug

Menthol in e-cigs could hurt lungs, UH research finds

Zuo’s research found that flavorings used in e-cigarettes, especially menthol, impaired a lipid-protein film at the air-water surface of the lung. This film is called the lung surfactant. It plays a central role in maintaining the normal respiratory mechanics of the lung.

2022 May

Board of Regents honors faculty for excellence in research

Rui Sun is an assistant professor of chemistry in the College of Natural Sciences. Sun’s research focuses on developing computational models and simulations to tackle chemical and biophysical problems that are outstanding challenges to human health and the environment.

2022 Apr

Celebrating UH Mānoa’s outstanding faculty, staff and students

The University of Hawaiʻi at Mānoa recognized its finest faculty, staff and students with various teaching, research and service awards at its first in-person Mānoa Awards Ceremony since 2019.

2022 Feb

Faster chemical reaction simulations to aid environment, health, more

Sun and his research group will develop a novel machine learning algorithm, which utilizes information gathered while studying the chemical reaction, to dramatically speed up the simulations with unprecedented efficiency and accuracy.

2022 Jan

How to fix your scientific coding errors

Software bugs are frustrating. Adopting some simple strategies can help you to avoid them, and fix them when they occur.

2021 Aug

Environmentally friendly space fuel research gets $550K boost

The project by Department of Chemistry Assistant Professor Rui Sun, Professor Ralf I. Kaiser and their research teams, which will investigate the properties of hypergolic bipropellants, received a three-year, $550,000 grant from the Air Force Office of Scientific Research.

2021 Jun

$600K grant supports national defense through energetic material development

The project goal is to determine the mechanism of the reactions of molecular-based energetic materials and their cocrystals.

2020 Dec

Researchers reliant on high-performance computing get big boost

Upgrades representing a 40% increase in computing power have been made to the University of Hawaiʻi’s high performance computing (HPC) cluster, called Mana.

2020 Aug

Deep-space discovery debunks decades-old belief

An astrochemical discovery by University of Hawaiʻi at Mānoa researchers debunks a decades-old assumption.

2020 Feb

Students dive into high-performance computing

Three University of Hawaiʻi at Mānoa professors made use of Mana, the UH high performance computing cluster this fall to teach three graduate-level courses, taking advantage of the speed, efficiency and volume of data that can be processed with the cluster.

2019 Oct

UH team finds glitch that could affect more than 100 scientific studies

The glitch involves a common nuclear magnetic resonance (NMR) computation. Graduate student Yuheng Luo was trying to verify the results of chemistry Professor Philip Williams’ group as part of our on-going collaboration.

2019 Oct

NMR prediction glitch found and fixed

Researchers looking for compounds that could fight pancreatic cancer instead found a glitch in a 5-year-old computer script for automating nuclear magnetic resonance predictions.

2019 Oct

Bad computer code jeopardizes results of 100 academic studies

Scientists at the University of Hawaii have uncovered a computer glitch that brings into question the findings of over 100 academic research papers.

2019 Oct

A code glitch may have caused errors in more than 100 published studies

Scientists in Hawaiʻi have uncovered a glitch in a piece of code that could have yielded incorrect results in over 100 published studies that cited the original paper.