Kwiseon Kim

发表

Finding gas diffusion pathways in proteins: application to O2 and H2 transport in CpI [FeFe]-hydrogenase and the role of packing defects.

K. Schulten, M. Seibert, J. Cohen, 2005, Structure.

A genetic algorithm based inverse band structure method for semiconductor alloys

Kwiseon Kim, P. Graf, W. Jones, 2005 .

Structure and phonons ofZnGeN2

Kwiseon Kim, E. Alldredge, W. Lambrecht, 2005 .

Atomic resolution modeling of the ferredoxin:[FeFe] hydrogenase complex from Chlamydomonas reinhardtii.

Christopher H. Chang, M. Ghirardi, Kwiseon Kim, 2007, Biophysical journal.

Predicting the electronic properties of 3D, million-atom semiconductor nanostructure architectures

J. Dongarra, Lin-wang Wang, A. Zunger, 2006 .

Brownian dynamics and molecular dynamics study of the association between hydrogenase and ferredoxin from Chlamydomonas reinhardtii.

Christopher H. Chang, M. Ghirardi, Kwiseon Kim, 2008, Biophysical journal.

Elastic Constants and Related Properties of the Group III-Nitrides

Kwiseon Kim, B. Segall, W. Lambrecht, 1995 .

Theoretical studies on conjugated phenyl-cored thiophene dendrimers for photovoltaic applications.

Christopher H. Chang, S. Shaheen, Kwiseon Kim, 2007, Journal of the American Chemical Society.

Exciton migration in conjugated dendrimers: a joint experimental and theoretical study.

S. Shaheen, Kwiseon Kim, P. Graf, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Direct enumeration investigation of bandgaps and effective masses of semiconductor alloys

G. Hart, Kwiseon Kim, P. Graf, 2005 .

Electronic and optical properties of the group-III nitrides, their heterostructures and alloys

Kwiseon Kim, S. Rashkeev, B. Segall, 1995 .

Electronic Structure and Related Properties of Tetrahedrally Bonded Wide-Band-Gap Materials Containing Early Elements of the Periodic Table

A. Petukhov, Kwiseon Kim, C. H. Lee, 1995 .

Photons, Photosynthesis, and High-Performance Computing: Challenges, Progress, and Promise of Modeling Metabolism in Green Algae

Peter Graf, Michael Seibert, Christopher H. Chang, 2008 .

The effects of unit cell size on the bandgap range in the direct enumeration study of AlxGayIn1−x−yP alloys

Kwiseon Kim, S. Limpijumnong, S. Jungthawan, 2010 .

Direct enumeration studies of band-gap properties of AlxGayIn1−x−yP alloys

Kwiseon Kim, J. Turner, R. Collins, 2009 .

Data Mining-Aided Crystal Engineering for the Design of Transparent Conducting Oxides: Preprint

Wesley B. Jones, C. Suh, Kwiseon Kim, 2010 .

First-principles study of native defects in anatase Ti O 2

Shengbai Zhang, Kwiseon Kim, S. Limpijumnong, 2006 .

Effective masses and valence-band splittings in GaN and AlN

Kwiseon Kim, M. Schilfgaarde, B. Segall, 1997 .

Density Functional Theory Calculation of Bonding and Charge Parameters for Molecular Dynamics Studies on [FeFe] Hydrogenases.

Christopher H. Chang, Kwiseon Kim, 2009, Journal of chemical theory and computation.

Addressing unknown constants and metabolic network behaviors through petascale computing: understanding H2 production in green algae

Peter Graf, Michael Seibert, David M. Alber, 2007 .

Erratum: Elastic constants and related properties of tetrahedrally bonded BN, AlN, GaN, and InN [Phys. Rev. B 53, 16310 (1996)]

Kwiseon Kim, B. Segall, W. Lambrecht, 1997 .

Divacancy-nitrogen-assisted transition metal dispersion and hydrogen adsorption in defective graphene: A first-principles study

Kwiseon Kim, Yong‐Hyun Kim, S. Jhi, 2010 .

Molecular Dynamics Simulations of Proton Transport in 3M and Nafion Perfluorosulfonic Acid Membranes

G. Voth, Kwiseon Kim, A. Herring, 2013 .

Why Are the Conventionally-Assumed High-Pressure Crystal Structures of Ordinary Semiconductors Unstable?

A. Zunger, V. Ozoliņš, Kwiseon Kim, 2001 .

Negative band gap bowing in epitaxial InAs/GaAs alloys and predicted band offsets of the strained binaries and alloys on various substrates

A. Zunger, G. Hart, Kwiseon Kim, 2002 .

NanoPSE: Nanoscience Problem Solving Environment for atomistic electronic structure of semiconductor nanostructures

Jack Dongarra, Julien Langou, Lin-Wang Wang, 2005 .

Hydroxide Degradation Pathways for Substituted Trimethylammonium Cations: A DFT Study

B. Pivovar, Kwiseon Kim, H. Long, 2012 .

Atomistic description of the electronic structure of In x Ga 1¿x As alloys and InAs'GaAs superlattices

A. Zunger, P. Kent, Kwiseon Kim, 2002 .

The Inverse Band Structure Approach: Find the Atomic Configuration that has Desired Electronic Properties

A. Zunger, Kwiseon Kim, S. Dudiy, 2005 .

Direct enumeration of alloy configurations for electronic structural properties

G. Hart, Kwiseon Kim, P. Graf, 2005 .

Shape dependence of band-edge exciton fine structure in CdSe nanocrystals.

Lin-Wang Wang, Alberto Franceschetti, Lin-wang Wang, 2007, Nano letters.

Thermal Conductance at Atomically Clean and Disordered Silicon/Aluminum Interfaces: A Molecular Dynamics Simulation Study

Kwiseon Kim, S. Narumanchi, W. Choi, 2012 .

Predicting the electronic properties of 3D, million-atom semiconductor nanostructure architectures

J. Dongarra, Lin-wang Wang, A. Zunger, 2006 .

INSTABILITY OF THE HIGH-PRESSURE CSCL STRUCTURE IN MOST III-V SEMICONDUCTORS

A. Zunger, V. Ozoliņš, Kwiseon Kim, 1999 .

First-principles calculation of thermodynamic stability of acids and bases under pH environment: a microscopic pH theory.

S. Zhang, Kwiseon Kim, Yong‐Hyun Kim, 2012, The Journal of chemical physics.

Molecular Dynamics Simulations of Proton Transport in 3M and Nafion Perfluorosulfonic Acid Membranes

G. Voth, Kwiseon Kim, A. Herring, 2013 .

Surface passivation optimization using DIRECT

Lin-Wang Wang, Wesley B. Jones, Peter A. Graf, 2006, J. Comput. Phys..

Elastic constants and related properties of tetrahedrally bonded BN, AlN, GaN, and InN.

Kim, Kwiseon Kim, B. Segall, 1996, Physical review. B, Condensed matter.

Charge transport simulations in conjugated dendrimers.

D. Ginley, Kwiseon Kim, P. Graf, 2010, The journal of physical chemistry. A.

[FeFe]-hydrogenases and photobiological hydrogen production

Klaus Schulten, Michael Seibert, Paul W. King, 2006, SPIE Optics + Photonics.

Identification of Raman-active phonon modes in oriented platelets of InN and polycrystalline InN

J. Angus, Kwiseon Kim, J. Dyck, 2000 .

Molecular dynamics and experimental investigation of H(2) and O(2) diffusion in [Fe]-hydrogenase.

K Schulten, M Posewitz, K. Schulten, 2005, Biochemical Society transactions.

Characterization Of Bulk, Polycrystalline Indium Nitride Grown At Sub-Atmospheric Pressures

John C. Angus, Kathleen Kash, Walter R. L. Lambrecht, 1997 .

Theoretical Study of Group-III-Nitride Alloys

Kwiseon Kim, S. Limpijumnong, B. Segall, 1996 .