Energy Materials Modelling Group
Department of Engineering and System Science (ESS),
National Tsing Hua University (NTHU), Taiwan
Associate Prof. Hsin-Yi Tiffany Chen
(202108 – )Department of Engineering and System Science (ESS),
(202202 – )College of Semiconductor Research,
(202208 – )Department of Materials Science and Engineering,
National Tsing Hua University (NTHU)
E-mail: hsinyi.chen@mx.nthu.edu.tw
Office: ESS building R513
Tel: 03-5715131 #34248
Lab: ESS building R519W
Tel: 03-5715131 #34288
ESS building R522E
Tel: 03-5715131 #35821
ESS building R523E
Tel: 03-5715131 #34328
RESEARCH INTERESTS
KEYNOTE/KEYNOTE SPEECH OF "CURRENT JOB"
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.
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(2017)3rd Association of Computational Mechanics in Taiwan (ACMT)
How does TiO2 catalyst reduction help in biomass conversion? 19 –10 Oct. Tainan, Taiwan
INVITED SPEAKERS AT CONFERENCE "CURRENT JOB"
EDUCATION
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PhD, Chemistry University College London, London, UK (in Professor C.Richard A. Catlow, FRS's Lab)
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MSc, Materials Science and Engineering, National Taiwan University, Taipei, Taiwan (under Dr. Ching-Ming Wei in Ab-initio Simulation Lab)
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BEng (Honours), Resources Engineering, National Cheng Kung University, Tainan, Taiwan
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(2025)Centre de Mécanique Ondulatoire Appliquée "QSCP Promising Scientist Prize of CMOA"
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(2025)Taiwan Catalysis Society "Outstanding Research Paper Award"
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(2025)National Science Council "Mr. Wu Ta-you Memorial Award"
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(2023)The Honorable Mention Award of the 3rd R&D Service Platform Highlight Achievement Award
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(2023)Member of Young Elite Award , Taiwan Ceramic Society
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(2022)Outstanding Youth Award ,TACT
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(2022)Outstanding Young Scholar Award ,MRS-Taiwan Annual Meeting
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(2021)New Faculty Research Award, NTHU
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(2021)Teaching undergraduate student Cheng-Hsi Yeh for winning the "110 Annual Energy Science - College Student Outstanding Creation Award"
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(2020)National Tsing Hua University Excellent Research Scholar Award
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(2016-2019)Rewards for Outstanding New Assistant Professors
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(2016-2017)MOST Special Outstanding Talent Award
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Graduate School Awards – Graduate School Student Conference Fund from University College London, UK
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Department Studentship, University College London, UK
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Engineering Physical Sciences Research Council (EPSRC) Studentship, UK
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Elite Overseas Study Scholarship from the Ministry of Education, Taiwan
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Conference Bursary Sponsored by the K.T. Li Foundation for the Development of Science and Technology, Taiwan
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An Honorary Member of The Phi Tau Phi Scholastic Honor Society, Taiwan
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(2024) International Symposium on Carbon for CATALYSIS
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(2024) Chemistry Annual Meeting Revealing Hydrogen Spillover Mechanisms on Ru-Based Ammonia Conversion Catalysts Using Density Functional Theory Calculations.
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(2024) Institute of Atomic and Molecular Sciences, Academia Sinica Revolutionizing materials design and development by computational simulations.
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(2024) Institute of Photonics Technologies,NTHU Colloquium
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(2024) Department of Materials Science and Engineering, NYCU Colloquium
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(2024) TACT
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(2023) Chemistry National Meeting
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(2023) Taiwan International Conference on Catalysis
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(2023) ICMS 2023 The 6th International Conference on Molecular Simulation
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(2023) NMCD’23 Nanotechnology Materials and Devices Conference
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(2023) Annual Meeting of Theoretical and Computational Chemistry
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(2022) Taiwan Association for Coating and Thin Film Technology Conference
The impact of density functional theory in materials science. 11 Nov. -
(2022) Taipei International Conference on Catalysis
What Can Hydrogen Spillover Help Enhance Catalytic Efficiency? A Density Functional Theory Study. 20–22 July, Taipei, Taiwan. -
(2022) National Center for High-Performance Computing Computing Resources Sharing Session
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(2022) Chinese Materials Research Society The 38th Second Academic Committee Meeting: Online Exchange Meeting for Candidates of the 2022 Outstanding Young Scholar Award.
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(2022)15th World Congress on Computational Mechanics (WCCM-XV) & 8th Asian Pacific Congress on Computational Mechanics (APCOM-VIII)
Catalytic Performance Affected by Hydrogen Spillover Mechanism: A DFT Study. 31 Jul. – 5 Aug. Yokohama, Japan. -
(2022) Chemistry National Meeting
The Importance of Hydrogen Spillover Mechanism in Catalysis: A DFT Study. 11–13 Mar. NTNU, Taiwan. -
(2021) Materials Research Society-Taiwan International Conference
Density function theory investigation of catalytic mechanisms and applications. 17 Nov. virtual. -
(2020) 7th H-energy and CO2 reduction mtg
Density functional theory investigation of metal-support interactions in catalysis. 29 Jul. IAMS, Academia Sinica, Taipei, Taiwan. -
(2020) The 18th Workshop on First-Principles Computational Materials Physics
The Impact of Density Functional Theory Calculations on Catalysis. 7 Jul. NTHU, Hsinchu, Taiwan. -
(2020) Chemistry and Materials Simulation and Industrial Application Forum
The impact of first-principles calculations on catalysis. 18 June. Hsinchu, Taiwan. -
(2019) TACT2019 International Thin Films Conference
Density functional theory investigation of catalytic materials. 17–20 Nov. NTUT, Taipei, Taiwan. -
(2019) EITC-New Materials 2019 at the NCTU
Model core-shell catalyst design applied to ORR in fuel cells. 12–13 Sep. NCTU. -
(2017) IUMRS International Conference in Asia (IUMRS-ICA)
How does catalyst reduction help in biomass conversion — A case study of TiO2. 5–9 Nov. Taipei -
(2017) Advances in Computational and Experimental Studies of Solids
Hydrogen spillover mechanisms on metal supported material. 10–12 Apr. Abingdon, UK -
(2016) 6th NTHU-UoL Bilateral Joint Workshop: Computational Modelling on Science and Engineering
Mechanistic Studies on Metal-Oxide Catalysts” 29–30 Nov. BaiPu, Taiwan.
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Associate Professor – Engineering and System Science, National Tsing Hua University, Taiwan
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Assistant Professor – Engineering and System Science, National Tsing Hua University, Taiwan
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Postdoctoral Research Associate – Materials Science, University of Milano-Bicocca, Italy(In Prof. Gianfranco Pacchioni's Quantum Chemistry Lab)
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Research Assistant – Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan(under Dr. Ching-Ming Wei in Ab-initio Simulation Lab)
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Teaching Assistant – Materials Science & Engineering, National Taiwan University, Taiwan