S. Han

发表

Optimization and application of lithium parameters for the reactive force field, ReaxFF.

A. V. van Duin, W. Goddard, S. Han, 2005, The journal of physical chemistry. A.

Artificial Intelligence to Accelerate the Discovery of N2 Electroreduction Catalysts

Byung Chul Yeo, S. Han, Hyuck-Mo Lee, 2020 .

Recent advances on simulation and theory of hydrogen storage in metal-organic frameworks and covalent organic frameworks.

Sang Soo Han, Jose L. Mendoza-Cortes, William A Goddard, 2009, Chemical Society reviews.

High-Throughput Screening to Investigate the Relationship between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation

Dong-Hun Kim, Sang Soo Han, Byung Chul Yeo, 2016 .

Exceptional CO2 working capacity in a heterodiamine-grafted metal–organic framework

S. Han, W. Lee, C. Hong, 2015, Chemical science.

Reply to the 'Comment on "Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules"' by F.-X. Coudert, A. H. Fuchs, and A. V. Neimark, Phys. Chem. Chem. Phys.

S. Han, Jae-ryang Joo, Hyungjun Kim, 2014, Physical chemistry chemical physics : PCCP.

Atomistic Observation of the Lithiation and Delithiation Behaviors of Silicon Nanowires Using Reactive Molecular Dynamics Simulations

Sang Soo Han, Byung Chul Yeo, S. Han, 2015 .

A GIS-supported fuzzy-set approach for flood risk assessment

Rui Xia, Rifaat Abdalla, Zhi Chen, 2014 .

Improved designs of metal-organic frameworks for hydrogen storage.

Wei-Qiao Deng, Sang Soo Han, William A Goddard, 2007, Angewandte Chemie.

Effects of calcium impurity on phase relationship, ionic conductivity and microstructure of Na+- β / β″-alumina solid electrolyte

S. Han, Sang-Min Lee, Dae-Han Lee, 2016, Bulletin of Materials Science.

Characteristics of two-dimensional counter-flowing wall jets

S. Han, A. Ramamurthy, Magdalena Tudor, 2019 .

Facile control of defect site density and particle size of UiO-66 for enhanced hydrolysis rates: insights into feasibility of Zr(IV)-based metal-organic framework (MOF) catalysts

S. Han, K. Baek, S. Hwang, 2019, Applied Catalysis B: Environmental.

Rapid-Response and Highly Sensitive Boronate Derivative-Based Fluorescence Probe for Detecting H2O2 in Living Cells

S. Han, B. Kim, Kang‐Bong Lee, 2019, Journal of analytical methods in chemistry.

Highly selective and sensitive detection of Cr6+ ions using size-specific label-free gold nanoparticles

S. Han, Kang‐Bong Lee, Sung Jin Pai, 2017 .

SE2 reaction in noncarbon system: Metal-halide catalysis for dehydrogenation of ammonia borane

S. Han, Sung Jin Pai, S. J. Pai, 2017, Proceedings of the National Academy of Sciences.

Reaction Mechanism of Area-Selective Atomic Layer Deposition for Al2O3 Nanopatterns.

Byung Chul Yeo, C. M. Yoon, S. Han, 2017, ACS applied materials & interfaces.

Toward the multiscale nature of stress corrosion cracking

Bo-Young Lee, Sang Soo Han, Woonggi Hwang, 2017 .

ReaxFF Molecular Dynamics Simulations of Water Stability of Interpenetrated Metal–Organic Frameworks

S. Han, Sung Jin Pai, S. J. Pai, 2017 .

Excitation-driven non-thermal conversion of few-layer graphenes into sp 3 -bonded carbon nanofilms

S. Han, N. Park, Yevhen Horbatenko, 2018 .

Direct Synthesis of Hydrogen Peroxide from Hydrogen and Oxygen over Mesoporous Silica-Shell-Coated, Palladium-Nanocrystal-Grafted SiO2 Nanobeads

S. Han, D. Lee, Kwan-Young Lee, 2017 .

Accelerated mapping of electronic density of states patterns of metallic nanoparticles via machine-learning

Byung Chul Yeo, S. Han, Hyuck-Mo Lee, 2020, Scientific reports.

Fine-Tuning of the Carbon Dioxide Capture Capability of Diamine-Grafted Metal-Organic Framework Adsorbents Through Amine Functionalization.

S. Han, W. Lee, C. Hong, 2017, ChemSusChem.

Unraveling Structural Models of Graphite Fluorides by Density Functional Theory Calculations

A. V. Duin, W. Goddard, S. Han, 2010 .

Direct Synthesis of Hydrogen Peroxide from Hydrogen and Oxygen Using Tailored Pd Nanocatalysts: A Review of Recent Findings

S. Han, Kwan-Young Lee, H. Kim, 2017, Catalysis Surveys from Asia.

Thermal Stability of Fluorinated Amorphous Carbon Thin Films with Low Dielectric Constant

S. Han, B. Bae, 2001 .

Characterization of a‐SiNx Thin Film Deposited By Inductively Coupled Plasma Enhanced Chemical Vapor Deposition

S. Han, K. No, B. Bae, 1996 .

Preparation of a-SiNx thin film with low hydrogen content by inductively coupled plasma enhanced chemical vapor deposition

S. Han, K. No, B. Bae, 1998 .

Highly dispersed Pd catalysts prepared by a sonochemical method for the direct synthesis of hydrogen peroxide

S. Han, Kwan-Young Lee, Y. Cho, 2017 .

Theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. II. Collision, storage, and adsorption.

A. V. van Duin, W. Goddard, S. Han, 2005, The Journal of chemical physics.

Recent Advances on Simulation and Theory of Hydrogen Storage in Metal—Organic Frameworks and Covalent Organic Frameworks

Jose L. Mendoza-Cortes, W. Goddard, S. Han, 2009 .

High coverage of hydrogen on a (10,0) single-walled boron nitride nanotube

S. Han, Hyuck-Mo Lee, Sung Hoon Lee, 2005 .

Improved H2 Storage in Zeolitic Imidazolate Frameworks Using Li+, Na+, and K+ Dopants, with an Emphasis on Delivery H2 Uptake

W. Goddard, S. Han, Seung-Hoon Choi, 2011 .

Stability of hydrogenation states of graphene and conditions for hydrogen spillover

S. Han, N. Park, D. Jung, 2012 .

Fluorinated silicon nitride film for the bottom antireflective layer in quarter micron optical lithography

S. Han, K. No, B. Bae, 1997 .

CsHSO4/TiP2O7 composite membrane for high temperature (>150 °C) proton exchange membrane fuel cells

S. Han, Dae-Han Lee, Sung-Ki Lim, 2015 .

Molecular dynamics simulations of stability of metal-organic frameworks against H2O using the ReaxFF reactive force field.

A. V. van Duin, S. Han, Seung-Hoon Choi, 2010, Chemical communications.

Atomistic Insights into H2O2 Direct Synthesis of Ni-Pt Nanoparticle Catalysts under Water Solvents by Reactive Molecular Dynamics Simulations.

S. Han, Hong Woo Lee, M. Banisalman, 2021, ACS applied materials & interfaces.

Covalent organic frameworks as exceptional hydrogen storage materials.

Sang Soo Han, Omar M Yaghi, William A Goddard, 2008, Journal of the American Chemical Society.

Balance in Adsorption Energy of Reactants Steers CO Oxidation Mechanism of Ag13 and Ag12Pd1 Nanoparticles: Association Mechanism versus Carbonate-Mediated Mechanism

S. Han, Hyuck-Mo Lee, Hyun You Kim, 2010 .

Pillared Covalent Organic Frameworks with Balanced Volumetric and Gravimetric Hydrogen Uptake

S. Han, Kihang Choi, D. Jung, 2012 .

Unlocking the Potential of Nanoparticles Composed of Immiscible Elements for Direct H2O2 Synthesis

Seung Yong Lee, Byung Chul Yeo, S. Han, 2019, ACS Catalysis.

Diamine-functionalized metal-organic framework: Exceptionally high CO 2 capacities from ambient air and flue gas, ultrafast CO2 uptake rate, and adsorption mechanism

S. Han, Jungkyu Choi, W. Lee, 2014 .

Mechanistic Investigation of the Catalytic Decomposition of Ammonia (NH3) on an Fe(100) Surface: A DFT Study

S. Han, Hyuck-Mo Lee, S. Yeo, 2014 .

Metal−Organic Frameworks Provide Large Negative Thermal Expansion Behavior

William A. Goddard, Sang Soo Han, W. Goddard, 2007 .

Effects of varying amounts of Na on Pd/TiO2 for the direct synthesis of H2O2: Identification of the Pd dispersion and catalytic activity enhancement by changing the surface electronic states

S. Han, Kwan-Young Lee, Y. Cho, 2020 .

Synthesis of composite metal hydride alloy of A2B and AB type by mechanical alloying

S. Han, W. Jeong, K. Lee, 2001 .

Effects of sintering on composite metal hydride alloy of Mg2Ni and TiNi synthesized by mechanical alloying

S. Han, K. Lee, Nam Hoon Goo, 2003 .

Mass Transport Control by Surface Graphene Oxide for Selective CO Production from Electrochemical CO2 Reduction

S. Han, Y. Hwang, D. Won, 2020 .

Adsorption mechanism and uptake of methane in covalent organic frameworks: theory and experiment.

Sang Soo Han, Jose L. Mendoza-Cortes, Omar M Yaghi, 2010, The journal of physical chemistry. A.

Adsorption, dissociation, penetration, and diffusion of N2 on and in bcc Fe: first-principles calculations.

S. Han, Hyuck-Mo Lee, S. Yeo, 2013, Physical chemistry chemical physics : PCCP.

Tuning Electronic and magnetic properties of phosphorene by vacancies and adatoms

Seungchul Kim, Pooja Srivastava, Sang Soo Han, 2015 .

Study on cap closure mechanism of single-walled carbon nanotubes by molecular dynamics

S. Han, Hyuck-Mo Lee, 2004 .

Nucleation mechanism of carbon nanotube

S. Han, Hyuck-Mo Lee, K. Lee, 2004 .

Atomistic Simulation Protocol for Improved Design of Si–O–C Hybrid Nanostructures as Li-Ion Battery Anodes: ReaxFF Reactive Force Field

Byung Chul Yeo, S. Han, Kwang-Ryeol Lee, 2017 .

Monolayer BC2: an ultrahigh capacity anode material for Li ion batteries.

S. Han, Kwang-Ryeol Lee, D. Das, 2017, Physical chemistry chemical physics : PCCP.

Atomistics of the lithiation of oxidized silicon (SiOx) nanowires in reactive molecular dynamics simulations.

Byung Chul Yeo, S. Han, Kwang-Ryeol Lee, 2016, Physical chemistry chemical physics : PCCP.

Pressure induced manifold enhancement of Li-kinetics in FCC fullerene.

S. Han, Kwang-Ryeol Lee, D. Das, 2014, Physical chemistry chemical physics : PCCP.

Boron doped defective graphene as a potential anode material for Li-ion batteries.

S. Han, Kwang-Ryeol Lee, D. Das, 2014, Physical chemistry chemical physics : PCCP.

Simulation Protocol for Prediction of a Solid-Electrolyte Interphase on the Silicon-based Anodes of a Lithium-Ion Battery: ReaxFF Reactive Force Field.

Byung Chul Yeo, S. Han, Kwang-Ryeol Lee, 2017, The journal of physical chemistry letters.

Optical and electrical properties of amorphous thin films in Gex Te1-x system

S. Han, B. Bae, Tae-Kyun Kim, 1999 .

β-CuGaO2 as a Strong Candidate Material for Efficient Ferroelectric Photovoltaics

Chang Soo Kim, H. M. Jang, Byung Chul Yeo, 2017 .

Unraveling the Atomistic Sodiation Mechanism of Black Phosphorus for Sodium Ion Batteries by First-Principles Calculations

Seungchul Kim, Sang Soo Han, Byung Chul Yeo, 2015 .

Three-dimensional monte-carlo simulation of grain growth in Pt-Co thin film

Sang Soo Han, S. Han, Hyuck-Mo Lee, 2002 .

ADSORPTION PROPERTIES OF HYDROGEN ON (10, 0) SINGLE-WALLED CARBON NANOTUBE THROUGH DENSITY FUNCTIONAL THEORY

S. Han, Hyuck-Mo Lee, 2004 .

High-level expression in Corynebacterium glutamicum of nitrile hydratase from Rhodococcus rhodochrous for acrylamide production

Hak-Sung Kim, S. Han, Hak-Sung Kim, 2014, Applied Microbiology and Biotechnology.

High H2 Storage of Hexagonal Metal−Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations

W. Goddard, S. Han, 2008 .

Anisotropic growth of Pt on Pd nanocube promotes direct synthesis of hydrogen peroxide

S. Han, H. Kim, Jae-pyoung Ahn, 2021 .

Electrochemically Modeling a Nonelectrochemical System: Hydrogen Peroxide Direct Synthesis on Palladium Catalysts.

S. Han, Min-Cheol Kim, 2020, The journal of physical chemistry letters.

Studies on Catalytic Activity of Hydrogen Peroxide Generation according to Au Shell Thickness of Pd/Au Nanocubes.

S. Han, Yousung Jung, Jae-pyoung Ahn, 2018, ACS applied materials & interfaces.

Microscopic nature of mobile fluoride anions on sp2 carbon surfaces

S. Han, N. Park, C. Choi, 2013 .

Effect of Shuttling Catalyst on the Migration of Hydrogen Adatoms: A Strategy for the Facile Hydrogenation of Graphene

S. Han, N. Park, Hyungjun Kim, 2011 .

Monodisperse Perovskite Colloidal Quantum Dots Enable High-Efficiency Photovoltaics

S. Han, M. Ko, Jongmin Choi, 2021 .

Ligand-induced structural evolution of Pt55 nanoparticles: amine versus thiol.

S. Han, Hyuck-Mo Lee, G. Henkelman, 2011, ACS nano.

The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene

S. Han, N. Park, Kihang Choi, 2014 .

Role of Pt atoms on Pd(1 1 1) surface in the direct synthesis of hydrogen peroxide: Nano-catalytic experiments and DFT calculations

S. Han, Kwangoh Lee, M. Seo, 2018, Journal of Catalysis.

Negatively curved carbon as the anode for lithium ion batteries

S. Han, R. Ruoff, D. Odkhuu, 2014 .

Hydrogen Bonding-Mediated Enhancement of Bioinspired Electrochemical Nitrogen Reduction on Cu2–xS Catalysts

Seung Yong Lee, S. Han, Donghun Kim, 2020 .

Phase stability of Pt nanoclusters and the effect of a (0 0 0 1) graphite surface through molecular dynamics simulation

S. Han, Hyuck-Mo Lee, Sung Hoon Lee, 2008 .

Effect of shell thickness of Pd core-porous SiO2 shell catalysts on direct synthesis of H2O2 from H2 and O2

S. Han, Kwan-Young Lee, H. Kim, 2017 .

Deposition of Fluorinated Amorphous Carbon Thin Films with Low Dielectric Constant and Thermal Stability

S. Han, B. Bae, 2000 .

Identification of crystal symmetry from noisy diffraction patterns by a shape analysis and deep learning

Jeongrae Kim, Leslie Ching Ow Tiong, Donghun Kim, 2020, npj Computational Materials.

Paradox of Thiourea: A False-Positive and Promoter for Electrochemical Nitrogen Reduction on Nickel Sulfide Catalysts

S. Han, Jaeyoung Lee, Taehee An, 2022, SSRN Electronic Journal.

Facile aqueous-phase synthesis of Ag–Cu–Pt–Pd quadrometallic nanoparticles

Byung Chul Yeo, S. Han, Woo-Sik Kim, 2019, Nano convergence.

ReaxFF reactive force field for the Y-doped BaZrO3 proton conductor with applications to diffusion rates for multigranular systems.

A. V. van Duin, W. Goddard, S. Han, 2008, The journal of physical chemistry. A.

Band Gap Engineering of Paradigm MOF-5

S. Han, E. Ganz, Li‐Ming Yang, 2014 .

Defect engineering toward strong photocatalysis of Nb-doped anatase TiO2: Computational predictions and experimental verifications

S. Han, Donghun Kim, Taeseup Song, 2017 .

A comparative first-principles study of the lithiation, sodiation, and magnesiation of black phosphorus for Li-, Na-, and Mg-ion batteries.

Byung Chul Yeo, S. Han, Heon Lee, 2016, Physical chemistry chemical physics : PCCP.

High H2 uptake in Li-, Na-, K-metalated covalent organic frameworks and metal organic frameworks at 298 K.

Jose L. Mendoza-Cortes, W. Goddard, S. Han, 2012, The journal of physical chemistry. A.

Storage of Hexagonal Metal-Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations

W. Goddard, S. Han, 2008 .

“ Li-Doped Metal Organic Frameworks for Reversible H 2 Storage at Ambient Temperature "

W. Goddard, S. Han, 2007 .

Effect of particle size on the density and ionic conductivity of Na 3 Zr 2 Si 2 PO 12 NASICON

S. Han, Sang-Min Lee, Sung-Ki Lim, 2015 .

Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials.

Byung Chul Yeo, S. Han, S. J. Pai, 2016, Physical chemistry chemical physics : PCCP.

Accurate Ab Initio-Based Force Field for Predictive CO2 Uptake Simulations in MOFs and ZIFs: Development and Applications for MTV-MOFs

S. Han, Yousung Jung, D. Jung, 2012 .

Simultaneously Controllable Doping Sites and the Activity of a W–N Codoped TiO2 Photocatalyst

Seungchul Kim, Taeseup Song, Sang Soo Han, 2016 .

Interpenetration of Metal Organic Frameworks for Carbon Dioxide Capture and Hydrogen Purification: Good or Bad?

S. Han, Jiyoung Heo, D. Jung, 2013 .

Zeolitic Imidazolate Frameworks as H2 Adsorbents: Ab Initio Based Grand Canonical Monte Carlo Simulation

W. Goddard, S. Han, Seung-Hoon Choi, 2010 .

Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field.

S. Han, Hong Woo Lee, Sung Jin Pai, 2019, The journal of physical chemistry letters.

Molecular Dynamics Simulation on Formation of Icosahedron and Coalescence of Pt Nanoclusters

S. Han, Hyuck-Mo Lee, Sung Hoon Lee, 2007 .

High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts

Seung Yong Lee, Byung Chul Yeo, S. Han, 2020, npj Computational Materials.

Liquefaction of H2 molecules upon exterior surfaces of carbon nanotube bundles

W. Goddard, S. Han, Hyuck-Mo Lee, 2005 .

Oxygen Reduction Electrocatalysts Based on Coupled Iron Nitride Nanoparticles with Nitrogen-Doped Carbon

Chang Won Yoon, S. Han, Kwang-Ryeol Lee, 2016 .

The theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. I. The reactive force field ReaxFFHBN development

William A. Goddard, Adri C. T. van Duin, Sang Soo Han, 2005 .

Tuning Metal-Organic Frameworks with Open-Metal Sites and Its Origin for Enhancing CO2 Affinity by Metal Substitution.

S. Han, Yousung Jung, Heejin Kim, 2012, The journal of physical chemistry letters.

Origin of Enhanced Ammonia Synthesis on Ru–Co Catalysts Unraveled by Density Functional Theory

S. Han, M. Banisalman, Min-Cheol Kim, 2022, ACS Catalysis.

Machine learning-enabled exploration of the electrochemical stability of real-scale metallic nanoparticles

S. Han, Youngtae Park, Donghun Kim, 2023, Nature communications.

Theoretical study on porphyrin based covalent organic polyhedra as a hydrogen storage

S. Han, N. Park, Kihang Choi, 2013 .

Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules.

S. Han, Jae-ryang Joo, Hyungjun Kim, 2013, Physical chemistry chemical physics : PCCP.

A hydrogen storage nanotank: lithium-organic pillared graphite.

S. Han, S. Jang, 2009, Chemical communications.

Lithium-doped metal-organic frameworks for reversible H2 storage at ambient temperature.

S. Han, Goddard William A, 2007, Journal of the American Chemical Society.

Nanomechanical Behavior of β-SiC Nanowire in Tension: Molecular Dynamics Simulations

S. Han, Hyuck-Mo Lee, Tae Yeon Kim, 2004 .

Electronic Structural Origin of the Catalytic Activity Trend of Transition Metals for Electrochemical Nitrogen Reduction

Byung Chul Yeo, W. Goddard, S. Han, 2019, The Journal of Physical Chemistry C.

Analysis of crystal phases of Na+-β/β"-alumina/YSZ composite prepared by vapor-phase synthesis from YSZ-toughened α-alumina

S. Han, Young-Hyuk Kim, Sung-Ki Lim, 2019, Journal of Industrial and Engineering Chemistry.

Enhanced Hydrogen-Storage Capacity and Structural Stability of an Organic Clathrate Structure with Fullerene (C60) Guests and Lithium Doping

Byung Chul Yeo, S. Han, S. Takeya, 2018 .

Lithium-functionalized metal-organic frameworks that show >10 wt% H2 uptake at ambient temperature.

S. Han, Jiyoung Heo, D. Jung, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Accelerated mapping of electronic density of states patterns of metallic nanoparticles via machine-learning

Byung Chul Yeo, S. Han, Donghun Kim, 2021, Scientific Reports.

Engineering of the Conformational Dynamics of an Enzyme for Relieving the Product Inhibition

S. Han, Hak-Sung Kim, J. Choi, 2016 .

Three-in-One Strategy to Improve Both Catalytic Activity and Selectivity: Nonconcentric Pd-Au Nanoparticles.

S. Han, Donghun Kim, Taekyung Yu, 2021, The journal of physical chemistry letters.

Nanopores of carbon nanotubes as practical hydrogen storage media

W. Goddard, S. Han, Hyuck-Mo Lee, 2005 .

First-Principles Design of Hydrogen Dissociation Catalysts Based on Isoelectronic Metal Solid Solutions.

S. Han, K. Kang, D. Seo, 2014, The journal of physical chemistry letters.

Pattern Learning Electronic Density of States

Chansoo Kim, Donghun Kim, Sang Soo Han, 2018, Scientific Reports.

Atomistic Sodiation Mechanism of a Phosphorene/Graphene Heterostructure for Sodium-Ion Batteries Determined by First-Principles Calculations

Byung Chul Yeo, S. Han, Donghun Kim, 2018, The Journal of Physical Chemistry C.

Solid-Solution Alloying of Immiscible Pt and AU Boosts Catalytic Performance for H 2O 2 Direct Synthesis

Seung Yong Lee, Byung Chul Yeo, S. Han, 2020 .

Machine learning filters out efficient electrocatalysts in the massive ternary alloy space for fuel cells

Byung Chul Yeo, S. Han, Youngtae Park, 2023, Applied Catalysis B: Environmental.

Thermostable Artificial Solid-Electrolyte Interface Layer Covalently Linked to Graphite for Lithium Ion Battery: Molecular Dynamics Simulations

S. Han, Seung-Hoon Choi, H. Guk, 2016 .

Molecular dynamics simulations of stability of metal-organic frameworks against H2O using the ReaxFF reactive force field.

A. V. van Duin, S. Han, Seung-Hoon Choi, 2010, Chemical communications.

Adsorption of Carbon Dioxide on Unsaturated Metal Sites in M2 (dobpdc) Frameworks with Exceptional Structural Stability and Relation between Lewis Acidity and Adsorption Enthalpy.

S. Han, Yousung Jung, W. Lee, 2016, Chemistry.

Monolayer BC2: an ultrahigh capacity anode material for Li ion batteries.

S. Han, Kwang-Ryeol Lee, D. Das, 2017, Physical chemistry chemical physics : PCCP.

Pressure induced manifold enhancement of Li-kinetics in FCC fullerene.

S. Han, Kwang-Ryeol Lee, D. Das, 2014, Physical chemistry chemical physics : PCCP.

A hydrogen storage nanotank: lithium-organic pillared graphite.

S. Han, S. Jang, 2009, Chemical communications.

Activity, Selectivity, and Durability of Ruthenium Nanoparticle Catalysts for Ammonia Synthesis by Reactive Molecular Dynamics Simulation: The Size Effect.

S. Han, Sung-Yup Kim, Hong Woo Lee, 2018, ACS applied materials & interfaces.

Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials.

Byung Chul Yeo, S. Han, Sung Jin Pai, 2016, Physical Chemistry, Chemical Physics - PCCP.

Deep Learning-Based Prediction of Material Properties Using Chemical Compositions and Diffraction Patterns as Experimentally Accessible Inputs.

Leslie Ching Ow Tiong, S. Han, Donghun Kim, 2021, The journal of physical chemistry letters.

Byung Chul Yeo, S. Han, Donghun Kim, 2017 .