Seminar

Internal Seminar:
Chi Hun Lee : Self-Introduction-Commencing a New Chapter at CCEL
JinSeok Kang : Research assistance: trimetallic alloy catalyst, xylose decompostion
Ju Hyun Yu: Nafion analysis with molecular dynamics
Eun Seong Yoo : Forward prediction versus inverse generation in ML
Junghyeon Han: Design of unused biomass reforming catalyst by using deep neural network and k-fold CV model
Seok Jun Yoon : Trimetallic catalyst design (MCEC)
Elim Kim : Unusual strain effect
Hyun Ju Lee: Computational Design of Durable and Selective Double Atom Catalysts Toward the Electrochemical NH3 production : Role of Carbon Defects
Ki Seong Song : Screening of Alkali - Resistant Alloy Catalysts for Direct Internal Steam Methane Reforming in Molten Carbonate Electrolysis Cell (MCEC) : a DFT study
Dr. Shedrack Akpe : Xylose decomposition into ethylene glycol and glycerol precursors on MgO and MgO_Ceriumdoped supported Ni3M catalysts
Dr. S. Kamalakannan :  Design and Development of Dual-Metal Anchored N6-Gra for CO2RR to Value-Added Products. A Computational Perspective

Time: 15:00, 12/21/2023
Room: 2S217

    14:00~15:00 : Computational design of heterogenous catalysts for hydrogen(H2) production

     Room: 2S312, May 10, 2022 (Tuesday)

    13:00~13:30 : Machine learning for N2RR catalyst design

    Room: On-line meeting, April  1, 2022 (Friday)

     14:00~14:30 : DFT study on the Mxene-based catalyst for N2RR 

     Room: 2S312, March  15 (Tuesday), 2022

    14:00~14:30 : DFT study on CH4 decomposition 

    Room: 2S312, January  26 (Wednesday), 2022

    13:30~14:30 : Hetero double atom catalyst for enhancing activity in electrochemical nitrogen reduction reactions: A DFT study

    Room: 60 anniversary building 707, August 10 (Tuesday), 2021

July 5 (Monday), 2021

Speaker: Prof. Hyung Chul Ham 

09:00~12:00 : Basic theory of density functional theory (DFT)

Speaker: Mr. Je Gyu Oh(assistant: Mr. Ho Chang Song)

13:00~17:00 : DFT Simulation for  single atom, molecules

July 6 (Tuesday), 2021

Speaker: Mr. Eoyoon Lee (assistant: Mr. Je Gyu Oh)

09:00~10:00 : metal simulation theory10:00~12:00 : metal bulk simulation 

Speaker: Mr. Hwa Woong Cha (assistant: Mr. Geungsang Yoo)

13:00~17:00 : metal surface model(slab) design and adsorption energy 

July 7 (Wednesday), 2021

Speaker: Mr. Geung sang Yoo (assistant: Mr. Eoyoon Lee)

09:00~10:00 : Basic electronic structure theory

10:00~12:00 : Density of state, d-band center

Topic: "Design of molten metal alloy catalyst for direct pyrolysis of methane using atomistic modeling"

May  28 (Friday), 2021, 13:00 ~ 14:00 Room: 2S312

Topic: "computational design of catalyst for Nitrogen Reduction Reaction by controlling support effect"

May  28 (Friday), 2021, 14:00 ~ 15:00 Room: 2S312

Topic: "MODELING STRUCTURE AND ANODIC PROPERTIES OF AMORPHOUS CARBON FOR APPLICATIONS IN Li, Na and Mg ION     BATTERIES"

April  05 (Monday), 2021, 16:00 ~ 17:00 Room: 2S312

Topic: "theoretical disign of hydrogen production catalyst from C5 organic compounds" 

March  05(Friday), 2021, 13:30 ~ 14:30 Room: 2S312

Topic: "Dry etching and etching process characteristics of copper thin film" 

February  24(Wednesday), 2021, 13:00 ~ 14:00 Room: 2S312

Topic: "Theoretical Considerations on the Reduction of CO2 to C1 Hydrocarbons on Cu Based Catalyst" 

February  17(Wednesday), 2021, 14:00 ~ 15:00 (online seminar)

Topic: "DFT and Catalysis"

December 28(Monday), 2020, 13:30 ~ 16:30, Room: 2S312 (This is a part of undergraduate student research activity)

Topic: "CH4 activation for H2 production using DFT and AIMD"

December 03(Thur), 2020, 13:30 ~ 14:30, Room: 2S312

Topic: "N2 reduction for NH3 production using DFT"

December 03(Thur), 2020, 14:30 ~ 15:30, Room: 2S312

Topic: "Catalyst screending for the reductive hydrogenation of xylose to xylitol"

November 26(Thur), 2020, 16:00 ~ 18:00, Room: 2S312

Topic: "Machine learning based methods for active bimetallic facets"

October 05(Thur),2020, 14:00 ~ 15:00, Room: 2S312

Topic: "Machine learning based design of nanoparticle"

October 05(Thur), 2020, 15:00 ~ 16:00, Room: 2S312