Y. Jung Group @ KAIST

Seminars

Total 227

2017

[2017.06.12] (S) JuhwanNoh: CO2 reduction catalyst design using actively learned machine
[2017.05.01] (S) Woonghyeon Park: Improved ORR on epitaxial N-doped graphene on silicon carbide
[2017.04.17] (S) Juhyung Lim: Single atom catalysts on 2D material supports (boron nitride, graphene)
[2017.01.02] (S) Jidon Jang: The topic will be noticed
[2017. 05. 08.] (S) Inkyung Kim: Investigate structural and component effect on reversibility of Li-rich cathode
[2017. 03. 27] (S) Seoin Back: An Importance of Ligand Effects Breaking the Scaling Relation for Core-Shell Oxygen Reduction Catalysts
[2017.04.27] (J) JuhwanNoh: Orbitalwise Coordination Number for Predicting Adsorption Properties of Metal Nanocatalysts
[2017.04.06] (J) Dong Shin Choi: Catalytic oxidation of Li2S on the surface of metal sulfides for Li−S batteries
[2017.04.06] (J) JuhwanNoh: Variational Autoencoder
[2017.03.23] (J) Juhyung Lim: Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells
[2017. 04. 20] (J) Inkyung Kim: Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries
[2017. 03. 16] (J) Seoin Back: Electrochemical Reduction of CO2 to Synthesis Gas with Controlled CO/H2 Ratios

2016

[2016.12.26] (S) Yonghwan Yun: The topic will be noticed
[2016.12.19] (S) Juhwan Noh: The topic will be noticed
[2016.12.12] (S) Jaehoon Kim: The topic will be noticed
[2016.12.05] (S) Yashpal Singh: The topic will be noticed
[2016.12.05] (S) JuhwanNoh: Improved machine learned chemisorption model based on muffin tin orbital theory
[2016.11.28.] (S) Inkyung Kim: Investigation of interfacial resistance in the space charge layer model of all-solid-state Li-sulfur batteries
[2016.11.28] (S) Dong Shin Choi: Fragmentation of Polysulfides on Anchoring Materials
[2016.11.21] (S) Inkyung Kim: The topic will be noticed
[2016.11.14] (S) Woonghyeon Park: Study of CO oxidation on NiO1-x/Pt(111)
[2016.11.07] (S) Changhyeok Choi: The topic will be noticed
[2016.11.03] (S) Moses Cho: The topic will be noticed
[2016.10.24] (S) Juhyung Lim: Pt-Co nanoparticle H2 oxidation
[2016.10.17] (S) Seoin Back: Transition metal electro-catalysts for NO reductive stripping to NH3
[2016.06.29] (S) Jaehoon Kim: Energy partitioning analysis for machine learning
[2016.06.09] (S) Inkyung Kim: Evaluation of interfacial resistance in the space charge layer model of all-solid-state(ASS) Li-sulfur batteries
[2016.04.28] (S) Juhyung Lim: Single Atom Catalyst: Doping a Metal atom on Boron Nitride sheet
[2016. 04. 21] (S) Seoin Back: Single-atom catalysts for CO2 electroreduction with improved catalytic properties
[2016.12.08.] (J) Inkyung Kim: Tuned chemical bonding ability of Au at grain boundaries for enhanced electrochemical CO2 reduction
[2016.11.17] (J) Juhyung Lim: Wax: A benign hydrogen-storage material that rapidly releases H2-rich gases through microwave-assisted catalytic decomposition
[2016.10.13] (J) JuhwanNoh: By-passing the Kohn-Sham equations with machine learning
[2016.10.06] (J) Jaehoon Kim: An introduction to convolutional neural network
[2016.09.29.] (J) Inkyung Kim: The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode mateirals
[2016.06.23] (J) Juhyung Lim: A Graphene Composite Material with Single Cobalt Active Sites: A Highly Efficient Counter Electrode for Dye-Sensitized Solar Cells
[2016.05.31] (J) Eunjeong Yang: The effect of cation disorder on the average Li intercalation voltage of transition-metal oxides
[2016.05.26] (J) JuhwanNoh: Predictive Structure-Reactivity Models for Rapid Screening of Pt-Based Multimetallic Electrocatalysts for the Oxygen Reduction Reaction
[2016.05.10] (J) Juhyung Lim: Controlling selectivity in the chlorine evolution reaction over RuO2 based catalysis
[2016.05.10] (J) Jaehoon Kim: Fragment molecular orbital method: for large molecules
[2016.04.19] (J) Inkyung Kim: Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen
[2016.04.12] (J) Eunjeong Yang: Discovery of abnormal lithium-storage sites in molybdenum dioxide electrodes
[2016.04.06] (J) Seoin Back: Amino acid modified copper electrode for the enhanced selective electroreduction of carbon dioxide towards hydrocarbons
[2016.03.22] (J) Jaehoon Kim: Mastering the game of Go with deep neural networks and tree search
[2016.03.15] (J) Inkyung Kim: Control of the metal-insulator transition in vanadium dioxide by modifying orbital occupancy
[2016. 06. 07] (J) Seoin Back: Electrochemical barriers made simple

2015

[2015.12.21] (S) Inkyung Kim: Interfacial resistance in respect of space charge layer model in All-Solid-State Li-sulfur battery
[2015.12.14] (S) Changhyeok Choi: Metal-polynitrogen cluster compounds, Electro-reduction of N2 on MOF
[2015.12.07] (S) Eunjeong Yang: Computational Screening of Anode Materials for Sodium Ion Batteries
[2015.11.30] (S) Moses Cho: The binding nature of fluorocarbon molecules on M-MOF-74
[2015.11.16] (S) Seoin Back: On the Reduced Overpotential for Oxygen Evolution Reaction at Nanostructured-IrO2
[2015.11.02] (S) Hyunjun Ji: Artificial neural network for the configuration problem in solids
[2015.10.12] (S) Umit V. Ucak: A typical dft study on Rhenium metal complexes
[2015.09.21] (S) Jaehoon Kim: Perspective on purification
[2015.09.14] (S) Kijeong Kwac: Water Transport through nanoporous graphene
[2015.06.08] (S) Hyunjun Ji: The topic will be noticed soon.
[2015.06.01] (S) Juhyung Lim: The topic will be noticed soon
[2015.05.18] (S) Moses Cho: The role of surface silanol groups in stabilizing carbamate on the silica support
[2015.05.12] (S) Kijeong Kwac: Water transport through nanoporous graphene
[2015.05.04] (S) Kijeong Kwak: The topic will be noticed soon
[2015.04.27] (S) Umit: The topic will be noticed soon.
[2015.04.27] (S) Umit V. Ucak: 1st derivative of charge density on atoms in molecule (AIM)
[2015.04.13] (S) Jaehoon Kim: Cluster usage manual
[2015.04.06] (S) Jaehoon Kim: The topic will be noticed soon
[2015.03.30] (S) Joonho Park: The topic will be noticed soon.
[2015.03.23] (S) In Kim: The topic will be noticed soon.
[2015.03.16] (S) Seoin Back: On the active sites of metal catalysts for CO2 electroreduction to CO
[2015.03.09] (S) Eunjeong Yang: 2D Transition Metal Carbides as Anode Material for SIBs
[2015.12.16] (J) Eunjeong Yang: Understanding Catalysis in a Multiphasic Two-dimensional Transition Metal Dichalcogenide
[2015.12.09] (J) Seoin Back: Selective Electrochemical Genreation of Hydrogen Peroxide from Water Oxidation
[2015.11.25] (J) Kijeong Kwac: Nanofiltration across Defect-Sealed Nanoporous Monolayer Graphene
[2015.11.25] (J) Jaehoon Kim: A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactions.
[2015.11.18] (J) Inkyung kim: The intriguing question of aniodic redox in high-energy density cathodes for Li-ion batteries
[2015.11.09] (J) Moses Cho: Fluorocarbon adsorption in hierarchical porous frameworks
[2015.11.04] (J) Changhyeok Choi: Synthesis of ammonia directly from air and water at ambient temperature and pressure
[2015.10.14] (J) Umit V. Ucak: how pervasive is the hirshfeld partioning
[2015.10.07] (J) Eunjeong Yang: New Mechanistic Insights on Na-ion Storage in Nongraphitizable Carbon
[2015.09.30] (J) Seoin Back: Enhancing Activity for the Oxygen Evolution Reaction: The Beneficial Interaction of Gold with Manganese and Cobalt Oxides
[2015.09.23] (J) Kijeong Kwac: Nanofluidic transport governed by the liquid/vapour interface
[2015.09.16] (J) Jaehoon Kim: Analysis of double-hybrid density functionals along the adiabatic connection
[2015.09.09] (J) Inkyung Kim: Design principles for solid-state lithium superionic condurtors
[2015.06.08] (J) Kijeong Kwac: Water desalination using nanoporous single-layer graphene
[2015.06.01] (J) Inkyung Kim: Space-charge layer effect at interface between oxide cathode and sulfide electrolyte in ASS Li-ion battery
[2015.06.01] (J) Jaehoon Kim: Sparse projected-gradient method for linear-scaling electronic structure calculation
[2015.05.04] (J) Seoin Back: Achieving Highly Efficient, Selective, and Stable CO2 reduction on Nitrogen-Doped Carbon Nanotubes
[2015.04.13] (J) Eunjeong Yang: Rhombohedral Prussian White as Cathode for Rechargeable Sodium-Ion Batteries
[2015.04.06] (J) Jaehoon Kim: Transition state search : Theory and Practice
[2015.04.06] (J) Kijeong Kwac: Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very different Slippage Despite Very Similar Interface Structures
[2015.03.30] (J) In Kim: Reax Force Field (ReaxFF)
[2015.03.23] (J) Eunjeong Yang: Atomic-Scale Clarification of Structural Transition of MoS2 upon Sodium Intercalation
[2015.03.23] (J) Umit V. Ucak: electronegativity equalization principle
[2015.03.02] (J) Seoin Back: A Highly Selective Copper-Indium Bimetallic Electrocatalyst for the Electrochemical Reduction of Aqueous CO2 to CO

2014

[2014.12.29] (S) Dong Shin Choi: Discharge Mechanism of Lithium Sulfur Battery
[2014.11.17] (S) Kijeong Kwac: Adsorption of CO2 in Graphene Oxide with Water
[2014.11.03] (S) Moses Cho: The Mechanistic Study of the Amine + CO2 interactions on the Solid Support
[2014.10.20] (S) Hyunjun Ji: The topic will be noticed soon.
[2014.10.13] (S) Umit: The topic will be noticed soon.
[2014.10.13] (S) Umit V. Ucak: hirshfeld partitioning
[2014.07.22] (S) Sungmin Han: Electronic effect of O2 adsorption on the magnetism of Fe-MOF-74
[2014. 12. 01] (S) Juhyung Lim: Basis set dependence tests in Double hybrid functionals with GMTKN30
[2014. 10. 20] (S) Jaehoon Kim: An efficient DM purification scheme
[2014. 06. 09] (S) Dong Shin Choi: The topic will be noticed soon.
[2014. 04. 28] (S) Kijeong Kwak: The topic will be noticed soon.
[2014. 03. 17] (S) Moses Cho: Overall Review of CO2 absorption with amine based solvents
[2014.23.12] (J) Umit V. Ucak: shortcomings of hirshfeld method
[2014.10.27] (J) Sungmin Han: Metal-Organic Frameworks with Precisely Designed Interior for Carbon Dioxide Capture in the Presence of Water
[2014.07.08] (J) Sungmin Han: Polyethyleneimine Incorporated Metal-Organic Frameworks Adsorbent for Highly Selective CO2 Capture
[2014.05.20] (J) Manjaly J. Ajitha: Crystal Engineering of an nbo Topology Metal-Organic Framework for Chemical Fixation of CO2 under Ambient COnditions
[2014.05.20] (J) Umit V. Ucak: voronoi polyhedron
[2014. 11. 19] (J) Jaehoon Kim: Spin in DFT
[2014. 07. 28] (J) Seoin Back: Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol
[2014. 07. 28] (J) Juhyung Lim: Chebyshev-filtered subspace iteration method
[2014. 06. 17] (J) Jaehoon Kim: Density of state guided MP2
[2014. 05. 27] (J) Juhyung Lim: CO2 capture and conversion using Mg-MOF-74 prepared by a sonochemical method
[2014. 05. 20] (J) Eunjeong Yang: A New Water Oxidation Catalyst: Lithium Manganese Pyrophosphate with Tunable Mn Valency
[2014. 04. 29] (J) Seoin Back: Finite Size Effects in Chemical Bonding: From Small Clusters to Solids
[2014. 04. 01] (J) Heejin Kim: Electronic Chemical Potential of Porous Metal-Organic Frameworks
[2014. 03. 24] (J) Jaehoon Kim: Transition state search method : dimer method
[2014. 03. 03] (J) Manjaly J. Ajitha: Ruthenium-catalysed alkoxycarbonylation of alkenes with carbon dioxide
[2014. 02. 17] (J) Seoin Back: Enabling direct H2O2 production through rational electrocatalyst design
[2014. 02. 10] (J) Heejin Kim: The rise of phosphorus
[2014. 02. 03] (J) Jaehoon Kim: The two PBE-based double-hybrid functionals : PBE0-DH & PBE0-2
[2014. 01. 27] (J) Sungmin Han: Selevtive binding of O2 over N2 in a redox-active metal organic framework with open iron(ll) coordination sites.
[2014. 01. 22] (J) Kijeong Kwac: Hydrophobic drying and hysteresis at different length scales by molecular dynamics simulations
[2014. 01. 22] (J) Eunjeong Yang: Rationalization of Intercalation Potential and Redox Mechanism for A2Ti3O7
[2014. 03. 18] (J) Sungmin Han: Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer

2013

[2013.09.16] (S) Umit V. Ucak: nonlocal effect and correlation hole
[2013. 12. 26] (S) Seoin Back: Investigation of Cu-based near surface alloys for CO2 electroreduction to CH4
[2013. 12. 16] (S) Heejin Kim: Can Metal-Organic Framework Separate 1-Butene?
[2013. 11. 22] (S) Heejin Kim: First principles studies on sodium-ion battery cathode materials (ph.d defense)
[2013. 11. 18] (S) Ajitha: Excited state inter/intramolecular proton transfer
[2013. 11. 18] (S) Eunjeong Yang: Na-Birnessite as Cathode for Sodium Ion Batteries
[2013. 10. 14] (S) Joonho Park: Oxygen doping effect on B-doped zGNR in Oxygen Reduction Reaction
[2013. 10. 07] (S) Youhwa Ohk: Biomass Conversion: Glucose to Fructose
[2013. 09. 30] (S) Seoin Back: CO oxidation on RuO2 (110) surface: Dopants effect
[2013. 09. 16] (S) Umit V. Ucak: The topic will be noticed soon.
[2013. 07. 15] (S) Hyunjun Ji: Ab initio cluster expansion for crystal structure prediction
[2013. 07. 08] (S) Eunjeong Yang: Na-birnessite as SIB Cathode
[2013. 05. 13] (S) Ajitha John: The topic will be noticed soon.
[2013. 05. 07] (S) Jaehoon Kim: Journey to find the holy grail : Fast and accurate electronic structure method development
[2013. 05. 06] (S) Heejin Kim: Ab initio Studies on the Kinetics of Cathode Materials
[2013. 03. 04] (S) Joonho Park: Goodenough Kanamori rule
[2013.11.25] (J) Umit V. Ucak: importance of anisotropy in the evaluations of dispersion interactions
[2013. 12. 30] (J) Seoin Back: Electroreduction of methanediol on copper
[2013. 12. 16] (J) Kijeong Kwac: Free Energy Barriers to Evaporation of Water in Hydrophobic Confinement
[2013. 12. 16] (J) Sungmin Han: Generation and O2 Adsorption Studies of the Microporous Magnets
[2013. 12. 02] (J) Eunjeong Yang: Promising 2-Dimensional Anode Materials for Li Ion Batteries
[2013. 11. 18] (J) Seoin Back: Design of Pt-Shell Nanoparticles with Alloy Cores for the Oxygen Reduction Reaction
[2013. 11. 18] (J) Moses Cho: The role of van der Waals forces in water adsorption on metals
[2013. 11. 13] (J) Joonho Park: the origin of spin crossover induced by gas adsorption
[2013. 11. 13] (J) Manjaly J. Ajitha: Azaphosphatranes as structurally tunable organocatalysts for carbonate synthesis from CO2 and epoxides
[2013. 11. 07] (J) Heejin Kim: A concept of dual-salt polyvalent-metal storage battery
[2013. 10. 28] (J) Kijeong Kwac: Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic
[2013. 10. 11] (J) Hyunjun Ji: Efficient methods for optimized effective potential generation
[2013. 09. 16] (J) Seoin Back: How copper catalyzes the electroduction of carbon dioxide into hydrocarbon fuels
[2013. 09. 09] (J) Manjaly J. Ajitha : Absorption of CO2 and CS2 into the Hofmann-type PCP: Electrostatic versus Dispersion interactions
[2013. 09. 09] (J) Eunjeong Yang: Na-ion mobility in layered Na2FePO4F and olivine Na[Fe,Mn]PO4
[2013. 08. 19] (J) Jaehoon Kim: Accurate calculation and modeling of the adiabatic connection in DFT
[2013. 07. 29] (J) Hyunjun Ji: Weighted many-body expansion
[2013. 07. 15] (J) Eunjeong Yang: Factors that Affect Li Mobility in Layered LiMO2
[2013. 07. 08] (J) Seoin Back: Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations
[2013. 07. 08] (J) Manjaly J. Ajitha: Direct Catalytic Anti-Markovnikov Addition of Carboxylic Acids to Alkenes
[2013. 07. 02] (J) Heejin Kim: Electroreduction of CO to C2 species on Cu(100) surface
[2013. 07. 02] (J) Joonho Park: FM-AFM transitin through modification of guest molecule
[2013. 06. 17] (J) Umit V. Ucak: Developing a force field in hydrogen adsorption on BNSs
[2013. 06. 10] (J) Hyunjun Ji: Simultaneous optimization of atomic coordinates and density
[2013. 06. 03] (J) Eunjeong Yang: Lithiation of Silicon via Lithium Zintl-Defect Complexes from First Principles
[2013. 05. 27] (J) Joonho Park: Overview on Pre-combustion technology & conversion of CO2
[2013. 05. 27] (J) Jaehoon Kim: Automatic basis generation
[2013. 05. 20] (J) Heejin Kim: Mechanistic understanding of Li-O2 battery: Experimental works
[2013. 05. 19] (J) Seoin Back: Rold of Nanostructured Dual-Oxide Supports in Enhanced Catalytic Activity: Theory of CO Oxidation Over Au/IrO2/TiO2
[2013. 05. 06] (J) Hyunjun Ji: Materials prediction by calculation
[2013. 05. 03] (J) Umit V. Ucak: Van der Waals Interactions: Classify & Evaluate promising schemes
[2013. 04. 29] (J) Eunjeong Yang: The Role of Catalysts and Peroxide Oxidation in Lithium-Oxygen Batteries
[2013. 04. 22] (J) Joonho Park: Light harvesting through MOF
[2013. 04. 22] (J) Ajitha: Sulfur as a selective ‘soft’ oxidant for catalytic methane conversion probed by Experiment and theory
[2013. 04. 14] (J) Seoin Back: A systematic study of CO oxidation on metals and metal oxides: Density Functional Theory Calculations
[2013. 03. 25] (J) Heejin Kim: Kinetic behavior of Li (de)insertion in nanoscale particles
[2013. 03. 25] (J) Jaehoon Kim: On the natural orbital functional theory, doubly hybrid DFT
[2013. 03. 18] (J) Hyunjun Ji: Exchange and Correlation in DFT - Part 2 (DFT camp)
[2013. 03. 11] (J) Joonho Park: Design for microporous magnet
[2013. 03. 04] (J) Ajitha John: An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen
[2013. 02. 25] (J) Seoin Back: Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides
[2013. 02. 25] (J) Eunjeong Yang: Density Matrix and Exchange-Correlation hole (supplementary presentation to DFT camp)
[2013. 02. 18] (J) Heejin Kim: Overview of Metal-Air batteries
[2013. 02. 18] (J) Umit V. Ucak: Basis Sets-2
[2013. 02. 18] (J) Jaehoon Kim: Variational approach using 2-particle density matrix
[2013. 01. 30] (J) Hyunjun Ji: Exchange and Correlation in DFT - Part 1 (DFT camp)
[2013. 01. 21] (J) In Kim: Theoretical study of dissociation of water under an electric field
[2013. 01. 21] (J) Hyunjun Ji: Strongly correlated electrons
[2013. 01. 14] (J) Youhwa Ohk: Single-atom catalysis of CO oxidation using Pt1/FeOx
[2013. 01. 14] (J) Umit V. Ucak: Basis Sets-1
[2013. 01. 07] (J) Eunjeong Yang: Hole Polaron Formation and Migration in Olivine Phosphate Materials
[2013. 01. 07] (J) Heejin Kim: A rechargeable room-temperature sodium superoxide (NaO2) battery
[2013. 01. 03] (J) Seoin Back: Ab initio study of lithium and sodium iron fluorophosphate cathodes for rechargeable batteries
[2013. 01. 03] (J) Jaehoon Kim: Double hybrid density functional development using GMTKN30 benchmark database

2012

[2012. 11. 22] (S) Umit V. Ucak: Generalized damping function for dispersion corrected systems
[2012. 11. 05] (S) Seoin Back: Revisiting Si(100) surface reconstruction using XYGJ-OS optimized geometry
[2012. 10. 24] (S) In Kim: Thermodynamic properties of urea/water mixture
[2012. 10. 15] (S) Jaehoon Kim: Orbital Counting Density Functional Theory
[2012. 09. 17] (S) Heejin Kim: Na2FeP2O7 as a Cathode for Sodium Rechargeable Batteries: A Combined Experimental and Theoretical Study
[2012. 09. 04] (S) Youhwa Ohk: Rh catalyzed C-H activation: Hydroarylation
[2012. 05. 06] (S) Jaehoon Kim: Density matrix purification scheme : Present and beyond
[2012. 04. 30] (S) Hyunjun Ji: Geometric effects on noncovalent interaction energies
[2012. 03. 05] (S) Heejin Kim: Ab Initio Study of the Multi-component Effects in Li2MP2O7 (M=Fe1/3Co1/3Mn1/3)
[2012. 02. 27] (S) Youhwa: Rh catalyzed C-H activation: Rollover Cyclometalation
[2012. 12. 26] (J) In Kim: Porous graphene/CNT as the ultimate membrane for gas separation
[2012. 12. 26] (J) Hyunjun Ji: Rung 3.5 density functionals
[2012. 12. 17] (J) Umit V. Ucak: Accurate calculations of dispersion coefficients
[2012. 12. 10] (J) Eunjeong Yang: Li2FeSiO4 Polymorphs from First Principles Calculations
[2012. 12. 10] (J) Youhwa Ohk: Methane Activation in Gold Cation-Exchanged Zeolites: A DFT Study
[2012. 12. 03] (J) Seoin Back: Capture Lithium in αMnO2: Insights from First Principles
[2012. 12. 03] (J) Heejin Kim: Sodium/Lithium ion batteries from Potassium compounds
[2012. 12. 03] (J) Heejin Kim: How to Explore the Numerous Configurations?
[2012. 11. 26] (J) In Kim: Selective Absorption of Liquid Methanol–Water Mixtures in Carbon Nanotubes
[2012. 11. 26] (J) Jaehoon Kim: Silicon Quantum Dot Nanostructures For Tandem Photovoltaic Cells
[2012. 11. 20] (J) Youhwa Ohk: Metal-Organic Frameworks of Vanadium as Catalysts for Conversion of Methane to Acetic Acid
[2012. 11. 20] (J) Umit V. Ucak: A versatile damping function study for dispersion corrected systems
[2012. 11. 07] (J) Hyunjun Ji: Empirical BSSE correction
[2012. 10. 31] (J) Eunjeong Yang: First-Principles study of the Redox Reactions in the Li-Air Battery
[2012. 10. 31] (J) Seoin Back: High Mobility and High storage Capacity of Lithium in sp-sp2 Hybridized Carbon Network: The Case of Graphyne
[2012. 10. 24] (J) Jaehoon Kim: SOGGA,SOGGA11,SOGGA11-X
[2012. 10. 15] (J) In Kim: CH4 hydrates vs. CO2 hydrates
[2012. 10. 15] (J) Hyunjun Ji: Explicitly correlated methods and their performances
[2012. 10. 14] (J) Heejin Kim: Silicon Anode for Lithium Ion Batteries
[2012. 09. 24] (J) Seoin Back: Computational Design of Porous Organic Frameworks for High-Capacity Hydrogen Storage by Incorporating Lithium Tetrazolide Moieties
[2012. 09. 05] (J) Heejin Kim: Origin of the 3.6V to 3.9V voltage increase in the LiFeSO4F

2011

[2011.10.10] (S) Hyunjun Ji: Analytic derivatives of quartic-scaling doubly hybrid XYGJ-OS functional