
Energy Materials Modelling Group
Department of Engineering and System Science (ESS),
College of Semiconductor Research (CoSR),
Department of Materials Science and Engineering (MSE),
National Tsing Hua University (NTHU), Taiwan

Welcome to EMMG lab
Watch this video to know more about our main research!

We need Postdoc, Research Assistant and PhD!
Welcome people with the following skills to contact us!
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Project or publication experience
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Basic materials simulation computing skills or above
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Basic background knowledge of energy materials, (surface science mechanisms, applications in the field of green energy catalysis, 2D thin film materials, energy storage materials, hydrogen storage and battery applications)
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Ability or knowledge of descriptor development
We need Master, Undergraduate Students!
Anyone who is interested or wants to know more is welcome to contact us!
Recruitment
Welcome to EMMG lab

Watch this video to know more about our main research!
We need Postdoc, Research Assistant and PhD!
Welcome people with the following skills to contact us!
-
Project or publication experience
-
Basic materials simulation computing skills or above
-
Basic background knowledge of energy materials, (surface science mechanisms, applications in the field of green energy catalysis, 2D thin film materials, energy storage materials, hydrogen storage and battery applications)
-
Ability or knowledge of descriptor development
We need Master, Undergraduate Students!
Anyone who is interested or wants to know more is welcome to contact us!
Recruitment
![]() Nuclear Science ConferenceNeil, Henry 3, Justin, and Mars won poster awards. Congratulations!!! | ![]() Farewell dinnerAll the best to Henry 2 & Hao for their future careers in TSMC! | ![]() T2CoMSA conference 2024Congratulations to Jeff and Justin on winning poster awards!! | ![]() Lab trip to XitouThank Prof. Tiffany for the 3D2N nature experience! |
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![]() New paper published!Congrats! |
2024.09
Welcome TEEP student intern, Khong Nhi, joining our lab!
2024.09
Congrats to Henry II for his Master's defense! Best wishes in TSMC!
2024.08
Wenye completed his dual PhD program. All the best for your future!
2024.08
Hao finished his Master's journey! Best wishes for his career in TSMC!
2024.08
Graduate students, Nick and Matt, join our lab! Welcome!
2024.08
All the best for her future endeavors, post doc Mozhgan!
2024.07
TEEP intern, Jin, joins our group!
2024.07
Welcome graduate students, Jenny and Ben, to our lab!
NEWS

2024.09
Congratulations to Neil (PhD student), Henry3 (Master's student), Justin and Mars (undergraduates) for winning the poster awards of Nuclear Science College (原子科學院2024專題研究海報競賽)!

2024.09
Congratulations to Mars (undergraduates) for winning the poster award of Nuclear Science for Interdisciplinary Program of Nuclear Science (原子科學院學士班)
Topic: Mechanistic understanding of how metal support interaction affects ammonia production on Ru-based catalyst
2024.08
Kudos to Jeff (M2) and Justin (undergraduate) for being awarded the poster prize in T2CoMSA 2024 (Taiwan Theoretical and Computational Molecular Sciences Association)!
Jeff's topic: Tailoring the Substrate of Single Metal Atom Catalyst to investigate N2 Dissociative Mechanism: A DFT Study
Justin's topic: Mechanistic Study of Enhanced Ferroelectric Property of HZO when Considering the Amorphous N-Doped Al2O3 Interfacial Layer

2024.07
Congratulations to Neil's team for receiving the poster for best proposal at the 2024 UTokyo - NTHU Summer Camp.

2024.07
Yves and Neil (PhD students) had a wonderful experience in the 18th International Congress on Catalysis (ICC), which was held in Lyon, France.



2024.06
Congratulations to Yves for receiving the best oral presentation award at the 2024 Taiwan International Conference on Catalysis (TICC).



2024.07
Congratulations to associate professor Hsin-Yi Tiffany Chen for the theoretical calculation research results being published in the Applied Catalysis B: Environment and Energy journal with IF=20.2.

2024.01
Congratulations to associate professor Hsin-Yi Tiffany Chen for the theoretical calculation research results being published in the ACS Nano Letters journal with IF=10.8.

About us
Using quantum mechanical simulations applied on homo- and heterogeneous catalysis, oxides surfaces, interfaces, 2D materials (thin films), metal clusters, carbon based materials, ORR, Fule cells, Betteries by analyzing their electronic structures, acid and basic properties, simulated STM images, transition states and reactions mechanisms.
Contact us!
Email: hsinyi.chen@mx.nthu.edu.tw
Office: ESS building R513 (工科舊館513室)
Tel: 03-5715131 #34248
Lab: ESS building R519W (工科舊館519W室)
Tel: 03-5715131 #34288











