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Kyushu University · IGSES · Fukuoka, Japan

e‑STeP Lab

Engineering Science and Thermophysical Properties Laboratory
Molecular SimulationsTransport PropertiesElectrochemical SystemsMachine Learning
Our ResearchJoin the Lab
Top 2%
Led by Stanford/Elsevier Top 2% Scientist
EiC
Led by Editor-in-Chief, Evergreen (Scopus)
213
Peer-Reviewed Publications
27
Papers in World Top 10% Most Cited
67
Papers in World Top 10% Journals
1.11
Field-Weighted Citation Impact

About e-STeP Lab


The Engineering Science and Thermophysical Properties Lab (e-STeP Lab) is committed to advancing research in next-generation refrigerant properties, thermophysical measurements, sustainable cooling technologies, and machine learning for energy systems. Our mission is to develop innovative technologies that enhance energy conversion, thermal management, and sustainability while addressing global challenges in energy and environmental science.

Interdisciplinary Research and Innovation

Our research integrates experimental and computational methods to study fluid properties, heat and mass transfer, and thermophysical behavior of materials. We leverage advanced experimental techniques, numerical modeling, molecular simulations, and artificial intelligence to improve energy efficiency and develop next-generation thermal systems.

Key Research Areas

Research Activities Overview

Research Areas


The e-STeP Lab is a primarily computational and theoretical research group. We use molecular simulation, atomistic modeling, and machine learning to investigate thermophysical and transport properties of fluids, materials, and electrochemical systems, supported by precision and validation experiments.

Molecular Simulations of Fluids and Materials

We apply molecular dynamics (MD) and Monte Carlo (MC) simulations to predict thermophysical and transport properties of pure fluids, refrigerant mixtures, and functional materials. Our work targets equation-of-state development, viscosity, thermal conductivity, and diffusivity across a wide range of thermodynamic conditions, complemented by precision validation experiments.

Molecular DynamicsMonte CarloRefrigerantsTransport PropertiesEquation of State
Electrochemical Systems: Thermal Management and Aging

We investigate atomistic behaviours and transport phenomena in electrochemical systems, with a focus on thermal management and degradation mechanisms. This includes ion transport at interfaces, solid-electrolyte interphase (SEI) formation, and the molecular-level aging mechanisms relevant to batteries and supercapacitors for next-generation energy storage and data-centre cooling applications.

ElectrochemistryBattery AgingIon TransportThermal ManagementSEI
🌡
Transport Phenomena in Nanofluids and Polymeric Fluids

We study the molecular mechanisms governing transport phenomena in nanofluids and polymeric fluids — including viscosity, thermal conductivity, and diffusion. Using atomistic and coarse-grained simulations, we establish structure–property relationships that inform the design of advanced heat-transfer fluids and soft materials for engineering applications.

NanofluidsPolymeric FluidsThermal ConductivityViscosityCoarse-Grained MD

Our Members

Faculty

Prof. Kyaw Thu
Prof. Kyaw Thu
Professor
Dept. of Advanced Environmental Science and Engineering, IGSES, Kyushu University
Education
  • Ph.D., Mechanical Engineering, National University of Singapore (NUS), 2010
  • B.E., Mechanical Engineering (First Class Honours), Yangon Technological University, Myanmar, 2004
Career
  • Professor · Faculty of Engineering Sciences, Kyushu University, Japan · 2025–present
  • Associate Professor · Faculty of Engineering Sciences, Kyushu University, Japan · 2019–2025
  • Associate Professor · Green Asia Education Center, Kyushu University, Japan · 2016–2019
  • Research Scientist / Postdoctoral Fellow · King Abdullah University of Science and Technology (KAUST), Saudi Arabia · 2011–2013
  • Senior Research Fellow / Research Fellow · Dept. of Mechanical Engineering, NUS, Singapore · 2009–2016
Research

Prof. Thu’s research applies second-law (exergy) analysis and multi-scale molecular simulations — spanning Density Functional Theory (DFT), Monte Carlo (MC), and Molecular Dynamics (MD) — across three principal fronts: thermophysical and transport properties of low-GWP refrigerants and nanofluids; interfacial chemistry and thermal management in solid-state batteries and electrochemical systems; and thermodynamic optimisation of waste-heat-driven adsorption desalination, hybrid multi-effect distillation (MEAD), and dew-point evaporative cooling cycles.

Recognition & Impact
  • Ranked among the world’s top 2% most-cited scientists for five consecutive years (2021–2025), Stanford / Elsevier citation index
  • ~10,000 citations · h-index 58 · i10-index 144
  • Editor-in-Chief, Evergreen — Joint Journal of Novel Carbon Resource Sciences & Green Asia Strategy
Molecular Simulations (MD / MC / DFT)Thermophysical PropertiesElectrochemical Systems & BatteriesAdsorption Desalination & CoolingEvaporative Cooling

Administrative Staff

Ms. Yuri Yamato
Ms. Yuri Yamato
Lab Secretary
Ms. Yamato has been the backbone of e-STeP Lab since its establishment. She expertly manages laboratory operations, logistics, and financial administration, ensuring that all lab activities run smoothly and efficiently. Her dedicated support enables our researchers to focus on their scientific work.
Ms. Tomiko Kato
Ms. Tomiko Kato
Lab Secretary · Secretariat, Evergreen
Ms. Kato joined e-STeP Lab in September 2025, bringing valuable bilingual expertise in both English and Japanese. She provides essential support for the lab’s international activities and serves as Secretariat for the Evergreen journal. Her language skills facilitate seamless communication between our diverse team and international collaborators.

PhD Students

Isha Sameen
Isha Sameen
PhD · D2Pakistan
Entry: Apr 2025
I am Isha Sameen, a PhD student in the e-STeP Lab at the Interdisciplinary Graduate School of Engineering Sciences (IGSES), Kyushu University. My PhD research focuses on the thermophysical and acoustic properties of oil-refrigerant mixtures to enhance energy-efficient HVAC systems. To complement my experimental work, I am learning molecular dynamics simulation to model molecular interactions in these mixtures. Outside of research, I enjoy hiking and painting.
Molecular Dynamics SimulationThermophysical Properties of RefrigerantsAcoustic Properties of Lubricant-Refrigerant Mixtures
Ziqi Jiang
Ziqi Jiang
PhD · D1China
Entry: Oct 2025
I am a PhD student at the e-STeP Lab. Before my doctoral studies, I investigated an integrated CO₂ thermal management system for electric vehicles. Currently, I dive into the fundamental mechanisms of battery aging using both molecular simulations and COMSOL Multiphysics.
Battery Aging MechanismsMolecular Dynamics SimulationThermal Management for EVs
Multi-scale battery aging study: COMSOL electrochemical model coupled with molecular dynamics simulation of electrolyte transport properties.
Multi-scale battery aging study: COMSOL electrochemical model coupled with molecular dynamics simulation of electrolyte transport properties.

Master’s Students

🧑
Rikiya Itamoto
MSc · M1Japan
Entry: Apr 2026
🧑
Geka Shinnosuke
MSc · M1Japan
Entry: Apr 2026
🧑
Tomoya Shinfuku
MSc · M1Japan
Entry: Apr 2026
🧑
Wonwoo Jeong
MSc · M1Republic of Korea
Entry: Apr 2026

Visiting Researchers

Marcel Felix Schneegans
Marcel Felix Schneegans
PhDGermany
Sep 2025 – Dec 2025
I am a doctoral researcher and scientific staff member at TU Dresden, Germany. Through a DAAD scholarship, I had the opportunity to work at the e-STeP Lab and experience Kyushu. During this time, I focused on predictive modelling of asymmetric n-alkane mixtures and estimating speed of sound data from homogeneous density data. In my free time, I am passionate about sports and continuously strive to improve my Japanese.
Thermodynamic Properties of Asymmetric MixturesNeural Networks in Thermophysical ModellingSalt Hydrates for Thermal Energy StorageComposite Adsorbents for Adsorption Cooling
Katerina Mayerova
Katerina Mayerová
PhDCzech Republic
Apr 2026 – May 2026
I am a Ph.D. student at the Faculty of Chemistry, Brno University of Technology (BUT), Czech Republic. Through an Erasmus+ traineeship as part of my doctoral studies, I had the opportunity to conduct research at Kyushu University. My research is situated in the field of chemical engineering and focuses on membrane technologies, polymeric hollow fibres, and heat exchanger systems. This traineeship was also a natural extension of the long-term collaboration between BUT and Kyushu University. As a member of the research team working on the project HFHX – Hollow Fiber Heat Exchangers with Reduced Permeability for Smart Cities, I have been involved in joint research activities and cooperation between both institutions for some time. Outside of research, I enjoy travelling, nature, and discovering new places and cultures.
Jiri Hvozda
Jiří Hvožďa
PhDCzech Republic
Apr 2026 – Apr 2026
Dr. Jiří is an expert in hollow fibre heat exchangers for thermal management across various engineering applications, including automobiles, electric vehicles, and batteries. During his visit to e-STeP Lab, Dr. Jiří shared his knowledge with our students on their ongoing research.
Haonan Chen
Haonan Chen
PhDJapan
Apr 2026 – Apr 2026
I graduated from IGSES in 2025, where I conducted research on the mechanisms of physical adsorption using molecular dynamics simulations under the supervision of Prof. Kyaw Thu. I am currently a Designated Assistant Professor at Nagoya University, focusing on magnetocaloric heat pump technologies. By utilizing the heat absorption and release associated with the magnetization and demagnetization of rare-earth and iron-based materials, my research aims to develop quiet and energy-efficient thermal systems. This project has been supported by the 2026 JSPS Grant-in-Aid for Early-Career Scientists (Kakenhi Wakate). I continue to collaborate with the e-STeP Lab on several research topics.

Alumni

Uthpala Perera
Dr. Uthpala Perera
🎓 PhD · Sep 2022Sri Lanka
PvT properties of next generation refrigerants at low temperatures: apparatus development, measurement and analysis
Engineer, K.S. Trading Pvt. Ltd., Sri Lanka
Saren Sagar
Dr. Saren Sagar
🎓 PhD · Sep 2023India
Multiscale Investigation of Adsorption Phenomena for Adsorption Heat Transformer and Desalination
Designated Assistant Professor, Institute of Innovation for Future Society, Nagoya University, Japan
Denis Mutebi
Dr. Denis Mutebi
🎓 PhD · Sep 2024Uganda
Eco-friendly Pumice-derived Zeolite — Synthesis and Adsorption Capacity Optimization
Assistant Lecturer, College of Natural Sciences, Makerere University, Uganda
Sannan Salabat Butt
Dr. Sannan Salabat Butt
🎓 PhD · Sep 2025Pakistan
Thermo-Economic and Environmental Investigation of Low and Ultra-Low Temperature Refrigeration Systems using Next-Generation Refrigerants
Senior Research Associate, Institute of Space Technology, Islamabad, Pakistan

Publications

1
Autumnal particulate matter deposition on woody plant leaves reveals trait-based species selection for air pollution mitigation
D. Hammad, K. Thu & T. Miyazaki
Discover Environment, 4(1)
2
Vegetation-driven and passive monitoring of urban particulate matter: Comparative field assessment of leaf morphology, plant functional types, and an environmentally friendly passive sampler in Fukuoka, Japan
D. Hammad, F. Mikšík, K. Thu & T. Miyazaki
Environmental Research, 300
3
Experimental and theoretical investigation of drying characteristics of manganese sulfate monohydrate with a fluidized bed dryer
M. Ham, Y. Lim, J. Im, J. Kim, C. Bak, K. Thu & Y. Kim
International Journal of Heat and Mass Transfer, 259
4
Template-free synthesis of pumice-derived FAU-type zeolite for water adsorption, and the effect of activation time
D. Mutebi, M. Frantisek, A. Spring, I. Yaningsih, T. Miyazaki & K. Thu
Advanced Powder Technology, 37(5)
5
Methane adsorption on cobalt-glutamate-based bio-metal-organic-framework for methane storage application
A. Martin, R. Asrian, T. Ricky, F. Yulia, K. Thu, A. Rahman, T. Takashi, N. Nasruddin & B. Prasetya
Journal of the Indian Chemical Society, 103(2)
6
Mechanism-enhanced multitask distillation for predictive, interpretable design of biomass-based activated carbons
P. Zhao, J. Zhou, G. Li, H. Yu, D. Ji, T. Miyazaki & K. Thu
Journal of Zhejiang University Science A

News & Activities

Session Chair — ACRA 2026
2026-05-17
📍 Session Chair — Prof. Kyaw Thu
Session 7 (EC-2) — ACRA 2026, Evergreen Laurel Hotel, Taichung, Taiwan, 17–20 May 2026.
ACRA 2026 →
Research Presentations — ACRA 2026
2026-05-17
The lab presented three papers and collaborated on two further presentations at ACRA 2026, Evergreen Laurel Hotel, Taichung, Taiwan, 17–20 May 2026.
ACRA 2026 →
From the Lab3 papers
1
Effects of LiPF₆ and LiBF₄ Salts on Transport Properties of Liquid Ethylene Carbonate Electrolytes: A Molecular Dynamics Study
Ziqi Jiang·Rikiya Itamoto·Jie Lin·František Mikšík·Takahiko Miyazaki·Young-deuk Kim·Kyaw Thu
🎤 Mr Ziqi Jiang
2
Structural and Transport Properties in EC/DMC-Based LiPF₆ Electrolytes: A Molecular Dynamics Insights
Rikiya Itamoto·Ziqi Jiang·Jie Lin·Frantisek Miksik·Takahiko Miyazaki·Young-deuk Kim·Kyaw Thu
🎤 Mr Rikiya Itamoto
3
Comparative Water-Vapor Permeance of PPA and PA11 Hollow Fibres for Lightweight Polymeric Heat Exchanger
Peng Zhao·Frantisek Miksik·Erik Bartuli·Katerina Mayerova·Takahiko Miyazaki·Yoshiaki Kawajiri·Jaroslav Longauer·Kyaw Thu
🎤 Mr Peng Zhao
Collaboration2 papers
1
Suppressing Wall Permeation–Induced Heat Transfer Fluid Leakage in Polymeric Hollow Fiber Heat Exchangers via Surface Treatment
Frantisek Miksik·Yoshiaki Kawajiri·Honoka Shibata·Kyaw Thu·Jiri Lindovsky·Jiri Hvozda·Erik Bartuli
🎤 Prof. Frantisek Miksik
2
Boundary-Condition-Aware Charge–Speed Recommendation for Lower Electricity Input at the Same Required Load in Vapor-Compression Heat Pumps
Jiazi Chai·Kyaw Thu·Takahiko Miyazaki
🎤 Mr Jiazi Chai
e-STeP Lab Welcome Party 2026
2026-05-01
The first-ever e-STeP Lab welcome party, 1 May 2026. We welcomed new students Mr Jiang, Mr Itamoto, Mr Shinfuku, Mr Shinnosuke, and Mr Jeong, and visiting researchers Dr Jiri and Ms Katerina from Brno University of Technology (BUT), Czech Republic. Our alumnus Dr Haonan from Nagoya University also joined.

Join Us

What We Offer

The e-STeP Lab is a primarily computational and theoretical research group at Kyushu University's Interdisciplinary Graduate School of Engineering Sciences (IGSES), one of Japan's leading research institutions. Our work spans molecular simulations, atomistic modeling, and machine learning for thermophysical and transport properties, complemented by precision and validation experiments. Lab members benefit from an international, English-speaking environment, close mentorship, and access to high-performance computing resources. MEXT scholarships are available for outstanding PhD candidates.

Open Positions

PhD Student3 years · April or October intake
We accept PhD applicants through the IGSES International Engineering and Interdisciplinary (IEI) Program. Excellent candidates may be eligible for a MEXT scholarship covering the full 3-year period (D-a category). Self-funded applicants are also welcome (D-b category). The program is taught in English.
IGSES admission information ↗
Master's Student2 years · April or October intake
Master's positions are available through the IGSES International Master's Program, taught entirely in English. Applicants must hold a bachelor's degree or equivalent. Exceptional students may complete the degree in under 2 years.
IGSES admission information ↗
Visiting ResearcherFlexible duration
We welcome visiting researchers and students from international institutions for short- or long-term stays. If you are interested in a research visit, please get in touch with details of your background and proposed timeline.

What We Look For

Background
Physical chemistry, physics, mathematics, or materials science. Strong mathematical foundations are essential.
Computational Skills
Programming experience in Python, Rust, MATLAB, or similar. Familiarity with molecular simulation, numerical methods, or machine learning is a plus.
Language
English proficiency is required. All research activities and courses are conducted in English. Japanese is not required.
Motivation
Genuine interest in thermophysical and transport property research, computational modeling, and contributing to high-impact publications.

How to Apply

Before making contact, please read some of Prof. Kyaw Thu's recent publications to understand the lab's research direction. Then send a tailored enquiry explaining specifically why you want to join this lab and how your background fits. Generic emails are unlikely to receive a response.

View Prof. Kyaw Thu's publications on Google Scholar ↗

Please include the following in your initial email:

  • A brief statement of your research interests and why you are drawn to this lab specifically
  • Your CV or resume
  • Academic transcripts (unofficial copies are fine at this stage)
  • Contact information for one or two academic references
Send an Enquiry

Contact

Address

Department of Advanced Environmental Science and Engineering

Faculty of Engineering Sciences, Kyushu University

kasuga-koen 6-1, Kasuga-shi, Fukuoka 816-8580, Japan

Tel:+81-92-583-7592, Fax:+81-92-583-7833

Email: kyaw.thu[at]kyudai.jp

Send Us a Message