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

Hsin-Yi Tiffany Chen

Associate Professor

Using quantum mechanical simulations applied on homo- and heterogeneous catalysis, oxides surfaces, interfaces,....

More information

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

2024.12

Congratulations to associate professor Hsin-Yi Tiffany Chen for the research results of her collaboration with the team from the Department of Chemical Engineering of Tsinghua University being published in the Advanced Materials Journal of IF=27.4 (TOP 2.2%-JIF)

2024.12

Congratulations to associate professor Hsin-Yi Tiffany Chen for the theoretical calculation research results being published in the EnergyChem journal with IF=22.2.

2024.11

Congratulations to Ryan (Master's student) for winning“Chinese Materials Science Society Materials Science Student Paper Award”

Topic: Using DPMD to explore the structural stability of ruthenium nanoparticles with B5 active sites

2024.11

Congratulations to Ryan (Master's student) for winning the excellent poster award of MRS-Taiwan Annual Meeting 2024 in National Chung Hsing University.

Topic: Deep Potential Molecular Dynamic Investigation in Structural Stability of B5 Ru Nanoparticles

2024.10

Congratulations to associate professor Hsin-Yi Tiffany Chen and Henry 1 (PhD student) for the theoretical calculation research results being published in the EnergyChem journal with IF=22.2.

Topic: Highly asymmetrically configured single atoms anchored on flame-roasting deposited carbon black as cathode catalysts for ultrahigh power density Zn-air batteries

2024.09

Congratulations to Associate Professor Hsin-Yi Tiffany Chen for the research results of her collaboration with the team from the Department of Chemical Engineering of Tsinghua University being published in the EnergyChem journal with IF=22.2 (TOP 2.6%-JIF)

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.

2024.07

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.

2024.06

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

2024.04

Congratulations to associate professor Hsin-Yi Tiffany Chen and the team from the School of Science of Harbin Institute of Technology for their research results being published in the Journal of the American Chemical Society with IF=14.5 (TOP 7.8%-JIF)

2024.03

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.

2023.10

Attending Nanotechnology Materials and Devices Conference.

Topic: Elucidating Defect Effects on Surface Diffusivity and Enhanced Electromigration Resistance Using Density Functional Theory.

2023.08

Congratulations on associate professor Hsin-Yi Tiffany Chen received

The Honorable Mention Award of the 3rd R&D Service Platform Highlight Achievement Award/國研院,第三屆研發服務平台亮點成果佳作獎

2023.04

Congratulations on associate professor Hsin-Yi Tiffany Chen received

Member of Young Elite Award (2023), Taiwan Ceramic Society/台灣陶瓷學會, 112年優秀青年會員獎

2023.03

Congratulations on MS's graduated student Steven won "Applied Chemistry Research Thesis Award of 2023 Chemistry National Meeting"

Topic: The Investigation of Hydrogen Storage Material Design by Density Functional Theory: A Case Study of Amorphous Carbon

2023.01

Congratulations on MS's student Ivy won "Poster Competition of 2023 Annual Meeting of the Physical Society of Taiwan"

Topic: Mechanistic Understanding of Actives Sites, Scaling and Support Effects on Nitrogen Activation by Using Fe-based Catalysts

2022.11

Congratulations on PhD's student Kent won "Special Awards of MRS-Taiwan Annual Meeting 2022"

Topic: Understand the Induction of Magnetism of a-Few-Layered MoS2 Semiconductor Materials by Density Functional Theory

2022.10

Congratulations on associate professor Hsin-Yi Tiffany Chen received

Outstanding Youth Award (2022) ,TACT/台灣鍍膜科技協會 ,111年傑出青年獎

2022.10

Congratulations on associate professor Hsin-Yi Tiffany Chen received

Outstanding Young Scholar Award ,MRS-Taiwan Annual Meeting (2022)/中國材料科學學會 ,111年優秀年輕學者獎

2022.09

Congratulations on MS's student Ivy won "Poster Competition of College of Nuclear Science 2022,NTHU"

Topic: Support Effects On the Mechanisms of Nitrogen Activation by Ru Catalysts

2021.09

Congratulations on master's student Neil won "College Student Research Creativity Award of MOST in 2021"

Topic: Hydrogen Activation by Tailoring Mewl-Support Interactions Applied to NH3/H production: A DFT Study

2021.09

Congratulations on PhD's student Henry won "Popular Oral Presentation Award of T2CoMSA in 2021"

Topic: A DFT Study of the Effect of Degrees of Inversion on the Electronic Structure of Spinel NiCo2O4

2021.09

Congratulations on associate professor Hsin-Yi Tiffany Chen received New Faculty Research Award, NTHU, 2021 (國立清華大學110年新進人員研究獎)

2021.03

Congratulations on assistant professor Hsin-Yi Tiffany Chen and master's student Kai-Shiang Yang won "Green Chemistry Poster Paper Award of IUPAC in 2021"

Topic: Density Functional Theory Investigation of Hydrogen Activation on Ru/MgO Catalysts

2025.3

Congratulations to Henry1 (PhD's student) for winning“NSC's Thousand Mile Horse Scholarships for Doctoral Students to Research Abroad.”

2025.2

Congratulations to Justin (Undergraduate student) for winning“114 Doctoral Research Fellowship Pilot Program - NSC Selection Category $40,000 per month for 3 years”

2025.1

Congratulations to Kent (PhD's student) for winning“2025 Physics Annual Meeting Optoelectronics/Semiconductors Group Poster Presentation”

Topic: Mechanistic Understanding of Enhancing Photoluminescence Intensity through CsPbI3 QDs -WS2 Heterostructures: A DFT Study

4 poster awards! Neil, Henry 3, Justin, and Mars in Nuclear Science College Poster Competition.	Farewell dinner All the best to Henry 2 & Hao for their future careers in TSMC!	T2CoMSA conference 2024 Congratulations to Jeff and Justin on winning poster awards!!	Lab trip to Xitou Thank Prof. Tiffany for the 3D2N nature experience!
Best proposal award for Neil! 2024 UTokyo - NTHU Summer Camp	Conference in Lyon, France! Yves & Neil presented posters in 18th International Congress on Catalysis	Best oral presentation for Yves! Taiwan International Conference on Catalysis (TICC)

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

Energy Materials Modelling Group

Department of Engineering and System Science (ESS),
National Tsing Hua University (NTHU), Taiwan

Welcome to EMMG lab

Watch this video to know more about our main research!

Recruitment

2024.09

2024.09

2024.08

2024.08

2024.08

2024.08

2024.07

2024.07

NEWS

Congratulations on MS's graduated student Steven won "Applied Chemistry Research Thesis Award of 2023 Chemistry National Meeting"

Congratulations on MS's student Ivy won "Poster Competition of 2023 Annual Meeting of the Physical Society of Taiwan"

4 poster awards!

Neil, Henry 3, Justin, and Mars in Nuclear Science College Poster Competition.

Farewell dinner

All the best to Henry 2 & Hao for their future careers in TSMC!

T2CoMSA conference 2024

Congratulations to Jeff and Justin on winning poster awards!!

Lab trip to Xitou

Thank Prof. Tiffany for the 3D2N nature experience!

Best proposal award for Neil!

2024 UTokyo - NTHU Summer Camp

Conference in Lyon, France!

Yves & Neil presented posters in 18th International Congress on Catalysis

Best oral presentation for Yves!

Taiwan International Conference on Catalysis (TICC)

About us

Contact us!

101, Section 2 Kuang Fu Road, Hsinchu,Taiwan 30013 | Department of Engineering and System Science | National Tsing Hua University

大學之道，在明明德，在親（新）民，在止於至善。

Website update: 2025-02-26

Energy Materials Modelling Group

Department of Engineering and System Science (ESS), National Tsing Hua University (NTHU), Taiwan

Welcome to EMMG lab

Watch this video to know more about our main research!

Recruitment

2024.09

2024.09

2024.08

2024.08

2024.08

2024.08

2024.07

2024.07

NEWS

4 poster awards!

Neil, Henry 3, Justin, and Mars in Nuclear Science College Poster Competition.

Farewell dinner

All the best to Henry 2 & Hao for their future careers in TSMC!

T2CoMSA conference 2024

Congratulations to Jeff and Justin on winning poster awards!!

Lab trip to Xitou

Thank Prof. Tiffany for the 3D2N nature experience!

Best proposal award for Neil!

2024 UTokyo - NTHU Summer Camp

Conference in Lyon, France!

Yves & Neil presented posters in 18th International Congress on Catalysis

Best oral presentation for Yves!

Taiwan International Conference on Catalysis (TICC)

About us

Contact us!

101, Section 2 Kuang Fu Road, Hsinchu,Taiwan 30013 | Department of Engineering and System Science | National Tsing Hua University

大學之道，在明明德，在親（新）民，在止於至善。

Website update: 2025-02-26

Department of Engineering and System Science (ESS),
National Tsing Hua University (NTHU), Taiwan