K. Ho

G. Tuttle, E. Ozbay, B. Temelkuran, 1998, Technical Digest. Summaries of Papers Presented at the International Quantum Electronics Conference. Conference Edition. 1998 Technical Digest Series, Vol.7 (IEEE Cat. No.98CH36236).

Photonic band gaps in three dimensions: New layer-by-layer periodic structures

Che Ting Chan, Costas M. Soukoulis, Mihail M. Sigalas, 1994 .

First-principles calculation of the equilibrium ground-state properties of transition metals: Applications to Nb and Mo

Kai-Ming Ho, K. Ho, C. L. Fu, 1983 .

Hydrogen in aluminum during alkaline corrosion

C. Wang, K. Ho, J. Ai, 2010 .

Synthesis of thin film photonic crystals

M. Sigalas, R. Biswas, K. Ho, 2001 .

A three-dimensional photonic crystal operating at infrared wavelengths

Bradley K. Smith, M. Sigalas, R. Biswas, 1998, Nature.

Effect of the magnetic permeability on photonic band gaps

M. Sigalas, R. Biswas, C. Soukoulis, 1997 .

Computationally-driven discovery of a family of layered LiNiB polymorphs.

K. Ho, Caizhuang Wang, Xin Zhao, 2019, Angewandte Chemie.

Lithium nickel borides: evolution of [NiB] layers driven by Li pressure

K. Ho, Caizhuang Wang, Xin Zhao, 2020 .

Ultrahigh-pressure phases of H2O ice predicted using an adaptive genetic algorithm

Renata M. Wentzcovitch, Min Ji, Koichiro Umemoto, 2011, 1108.4164.

Manipulation of Dirac cones in intercalated epitaxial graphene

K. Ho, Caizhuang Wang, Minsung Kim, 2017 .

Fine band gap modulation effects of aGNRs by an organic functional group: a first-principles study

K. Ho, Caizhuang Wang, Pingjian Li, 2013 .

Energetic and fragmentation stability of water clusters (H2O)n, n = 2–30

Wencai Lu, C. Wang, K. Ho, 2011 .

Synergistic computational and experimental discovery of novel magnetic materials

J. Chelikowsky, K. Ho, Caizhuang Wang, 2020, Molecular Systems Design & Engineering.

Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials.

Caizhuang Wang, Xin Zhao, Shunqing Wu, 2018, Physical chemistry chemical physics : PCCP.

Fe-Si networks in Na2FeSiO4 cathode materials.

C. Wang, K. Ho, P. Wu, 2016, Physical chemistry chemical physics : PCCP.

Zero-Strain Na2FeSiO4 as Novel Cathode Material for Sodium-Ion Batteries.

M. J. McDonald, K. Ho, Caizhuang Wang, 2016, ACS applied materials & interfaces.

Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 Cathode

C. Wang, K. Ho, M. C. Nguyen, 2015, 1512.03368.

Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

K. Ho, Caizhuang Wang, Xin Zhao, 2015, Scientific Reports.

Zero-Strain Na 2 FeSiO 4 as Novel Cathode Material for Sodium-Ion Batteries

M. J. McDonald, K. Ho, Caizhuang Wang, 2016 .

Molecular-dynamics simulation of thermal conductivity in amorphous silicon.

Chan, Biswas, Ho, 1991, Physical review. B, Condensed matter.

Molecular geometry optimization with a genetic algorithm.

D. M. Deaven, Ho, Deaven, 1995, Physical review letters.

Evidence for a large Rashba splitting in PtPb4 from angle-resolved photoemission spectroscopy

K. Ho, Caizhuang Wang, M. C. Nguyen, 2020, 2008.13736.

The geometry of small fullerene cages: C20 to C70

Che Ting Chan, Kai-Ming Ho, C. Z. Wang, 1992 .

Ionization of medium-sized silicon clusters and the geometries of the cations

A. Shvartsburg, M. Jarrold, K. Ho, 1998 .

Growth morphology and properties of metals on graphene

K. Ho, Caizhuang Wang, Hai-Qing Lin, 2015 .

Size-and Strain-Dependent Electronic Structures in H-Passivated Si [112] Nanowires

Caizhuang Wang, M. Chou, Jia-An Yan, 2008 .

On Realizing Higher Efficiency Polymer Solar Cells Using a Textured Substrate Platform

Kai-Ming Ho, Sumit Chaudhary, K. Ho, 2011, Advanced materials.

New stable Re–B phases for ultra-hard materials

Caizhuang Wang, Xin Zhao, M. C. Nguyen, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Magnetic iron-cobalt silicides discovered using machine-learning

Huaijun Sun, J. Chelikowsky, Caizhuang Wang, 2023, Physical Review Materials.

Machine learning guided discovery of ternary compounds involving La and immiscible Co and Pb elements

Caizhuang Wang, P. Canfield, Huafeng Dong, 2022, npj Computational Materials.

Accelerating the discovery of novel magnetic materials using machine learning–guided adaptive feedback

Huaijun Sun, J. Chelikowsky, K. Ho, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Predicting magnetic anisotropy energies using site-specific spin-orbit coupling energies and machine learning: Application to iron-cobalt nitrides

Huaijun Sun, J. Chelikowsky, K. Ho, 2022, Physical Review Materials.

Discovering rare-earth-free magnetic materials through the development of a database

Huaijun Sun, J. Chelikowsky, K. Ho, 2020, Physical Review Materials.

Extremely Efficient Indium–Tin‐Oxide‐Free Green Phosphorescent Organic Light‐Emitting Diodes

Ruth Shinar, Joseph Shinar, Rui Liu, 2012, Advanced materials.

Defect Interaction and Deformation in Graphene

Wencai Lu, C. Wang, K. Ho, 2020 .

Relativistic effects on ground state properties of 4d and 5d transition metals

K. Ho, C. Chan, C. Elsässer, 1990 .

Genetic-algorithm energy minimization for point charges on a sphere.

D. M. Deaven, Ho, Morris, 1996, Physical review. B, Condensed matter.

Double icosahedron‐based motif of Nin (n = 20−30)

Wencai Lu, Q. Zang, C. Wang, 2012 .

Structures and stabilities of Pb(n) (n

Wencai Lu, Q. Zang, Guang-ju Chen, 2009, The journal of physical chemistry. A.

Structures of Aln (n = 27, 28, 29 and 30) clusters with double-tetrahedron structures

Wencai Lu, K. Ho, Caizhuang Wang, 2008 .

Structures and dynamical properties of C{sub n}, Si{sub n}, Ge{sub n}, and Sn{sub n} clusters with n up to 13

Caizhuang Wang, Zhong-yi Lu, K. Ho, 2000 .

K. Ho, Caizhuang Wang, Lin Zhou, 2018, Acta Materialia.

Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets

K. Ho, Caizhuang Wang, Xin Zhao, 2015 .

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

Manh Cuong Nguyen, Kai-Ming Ho, Apurva Mehta, 2014, Scientific Reports.

Homogenization of acoustic metamaterials of Helmholtz resonators in fluid

Che Ting Chan, Kai-Ming Ho, Xinhua Hu, 2008 .

Adaptive Variational Quantum Dynamics Simulations

K. Ho, Caizhuang Wang, P. P. Orth, 2020, PRX Quantum.

Structure and dynamics at metal surfaces

K. Ho, K. Bohnen, K. Ho, 1993 .

Optimization of Atomic Clusters

K. Ho, Caizhuang Wang, C. Ciobanu, 2013 .

Pressure-induced multiple phase transformations of the BaBi3 superconductor

K. Ho, Caizhuang Wang, M. C. Nguyen, 2018, Physical Review B.

The Gutzwiller conjugate gradient minimization method for correlated electron systems

Wencai Lu, K. Ho, Caizhuang Wang, 2022, Journal of physics. Condensed matter : an Institute of Physics journal.

Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory

K. Ho, Caizhuang Wang, Z. Ye, 2020, 2004.09652.

Waveguide networks in three-dimensional layer-by-layer photonic crystals

Kai-Ming Ho, Gary Tuttle, G. Tuttle, 2004 .

Woodpile Metallic Photonic Crystals Fabricated by Using Soft Lithography for Tailored Thermal Emission

K. Ho, Jae-Hwang Lee, Yong-Sung Kim, 2007 .

High-Throughput Screening of Strong Electron-Phonon Couplings in Ternary Metal Diborides.

K. Ho, Caizhuang Wang, Shunqing Wu, 2022, Inorganic chemistry.

Phase transitions in MgSiO3 post-perovskite in super-Earth mantles

K. Ho, Caizhuang Wang, Shunqing Wu, 2017, 1708.04767.

An adaptive genetic algorithm for crystal structure prediction

C Z Wang, C. Wang, K. Ho, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Effect of doping on the phase stability and superconductivity in LaH10

K. Ho, Shunqing Wu, Yang Sun, 2023, Physical Review Materials.

Vibrational frequencies and structural properties of transition metals via total-energy calculations

D. Hamann, K. Ho, W. Weber, 1982 .

Density-functional energies and forces with Gaussian-broadened fractional occupations.

Chan, Ho, K. Ho, 1994, Physical review. B, Condensed matter.

Understanding CrGeTe3: an abnormal phase change material with inverse resistance and density contrast

X. Miao, C. Wang, K. Ho, 2019, Journal of Materials Chemistry C.

Photonic crystal: energy-related applications

Tae Geun Kim, K. Ho, Z. Ye, 2012 .

Metals on graphene: correlation between adatom adsorption behavior and growth morphology.

Wencai Lu, C. Wang, K. Ho, 2012, Physical chemistry chemical physics : PCCP.

Electronic Structure of Double-Layer Epitaxial Graphene on SiC(0001) Modified by Gd Intercalation

Caizhuang Wang, Minsung Kim, A. Kaminski, 2020, The Journal of Physical Chemistry C.

Reducing optical losses in organic solar cells using microlens arrays: theoretical and experimental investigation of microlens dimensions.

R. Biswas, K. Ho, S. Chaudhary, 2015, Physical chemistry chemical physics : PCCP.

Adaptive Variational Quantum Imaginary Time Evolution Approach for Ground State Preparation

K. Ho, Caizhuang Wang, P. P. Orth, 2021, Advanced Quantum Technologies.

Efficient step-merged quantum imaginary time evolution algorithm for quantum chemistry.

K. Ho, Caizhuang Wang, P. P. Orth, 2020, Journal of chemical theory and computation.

Tight‐Binding Molecular Dynamics Studies of Covalent Systems

C. Wang, K. Ho, K. Ho, 2007 .

Material simulations with tight-binding molecular dynamics

C. Z. Wang, C. Wang, K. Ho, 1997 .

Material research with tight-binding molecular dynamics

Che Ting Chan, C. Wang, K. Ho, 1994 .

Broadband light absorption enhancement in polymer photovoltaics using metal nanowall gratings as transparent electrodes.

K. Ho, S. Chaudhary, Z. Ye, 2012, Optics express.

Reconstruction and evaporation at graphene nanoribbon edges

C. Wang, K. Ho, E. Yoon, 2010 .

Melting of small Sn clusters by ab initio molecular dynamics simulations

J. Chelikowsky, K. Ho, Caizhuang Wang, 2004 .

Molecule intrinsic minimal basis sets. I. Exact resolution of ab initio optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals.

C Z Wang, C. Wang, K. Ho, 2004, The Journal of chemical physics.

Atomistic processes of grain boundary motion and annihilation in graphene

K. Ho, Caizhuang Wang, E. Yoon, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Stable CdTe solar cell with V2O5 as a back contact buffer layer

K. Ho, S. Chaudhary, K. Shen, 2016 .

Structure, bonding nature and transition dynamics of amorphous Te

X. Miao, K. Ho, Caizhuang Wang, 2021 .

Unraveling the structural and bonding nature of antimony sesquichalcogenide glass for electronic and photonic applications

X. Miao, K. Ho, Caizhuang Wang, 2021 .

Order-N spectral method for electromagnetic waves.

Chan, Ho, C. Chan, 1995, Physical review. B, Condensed matter.

Light propagation in semi-infinite photonic crystals and related waveguide structures

Kai-Ming Ho, Zhiyuan Li, Zhi-Yuan Li, 2003 .

Environment-Dependent Tight-Binding Model for Molybdenum

K. Ho, Caizhuang Wang, C. Elsässer, 1998 .

Impedance of photonic crystals and photonic crystal waveguides

Rana Biswas, R. Biswas, K. Ho, 2004 .

Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentials

Sidney Yip, Kai-Ming Ho, Gun-Do Lee, 2008 .

Thermodynamic limits of crystallization and the prediction of glass formation tendency

K. Ho, Caizhuang Wang, R. Napolitano, 2010 .

Interface mobility and the liquid-glass transition in a one-component system described by an embedded atom method potential

K. Ho, James R. Morris, M. Mendelev, 2006 .

Metallization and spin fluctuations in Cu-doped lead apatite

K. Ho, Yang Sun, V. Antropov, 2023, Physical Review Materials.

Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system

K. Ho, Caizhuang Wang, Zijing Lin, 2019, Applied Physics Letters.

Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study

K. Ho, Caizhuang Wang, M. Kramer, 2012 .

Development of a semi-empirical potential suitable for molecular dynamics simulation of vitrification in Cu-Zr alloys.

C. Wang, K. Ho, Caizhuang Wang, 2019, The Journal of chemical physics.

A first-principles divide-and-conquer approach for electronic structure of large systems and its application to graphene nanoribbons

Congjun Wang, Yongxin Yao, Gui-Ping Zhang, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Tailoring Mid‐Gap States of Chalcogenide Glass by Pressure‐Induced Hypervalent Bonding Towards the Design of Electrical Switching Materials

Zhongrui Wang, Caizhuang Wang, Ming Xu, 2023, Advanced Functional Materials.

Experimental Observation of Negative Effective Gravity in Water Waves

K. Ho, J. Zi, C. T. Chan, 2013, Scientific Reports.

Cooling rate dependence of structural order in Al90Sm10 metallic glass

K. Ho, Caizhuang Wang, Z. Ding, 2016 .

Effect of local structures and atomic packing on glass forming ability in CuxZr100−x metallic glasses

W. Wang, K. Ho, Chaohui Wang, 2010 .

Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions

K. Ho, Caizhuang Wang, L. Tang, 2022, Physical Review Materials.

Structure and dynamics of Fe90Si3O7 liquids close to Earth's liquid core conditions

K. Ho, Caizhuang Wang, Yang Sun, 2023, 2303.03585.

Ab Initio Melting Temperatures of Bcc and Hcp Iron Under the Earth’s Inner Core Condition

K. Ho, Caizhuang Wang, Yang Sun, 2022, Geophysical Research Letters.

Gutzwiller hybrid quantum-classical computing approach for correlated materials

K. Ho, Caizhuang Wang, Fuqing Zhang, 2020, Physical Review Research.

Shallow-circuit variational quantum eigensolver based on symmetry-inspired Hilbert space partitioning for quantum chemical calculations

K. Ho, Caizhuang Wang, P. P. Orth, 2020, Physical Review Research.

All-metallic three-dimensional photonic crystals with a large infrared bandgap

J. G. Fleming, R. Biswas, K. Ho, 2002, Nature.

Other Methodologies for Investigating Atomic Structure

K. Ho, Caizhuang Wang, C. Ciobanu, 2013 .

Global Optimization of 2-Dimensional Nanoscale Structures: A Brief Review

K. Ho, Caizhuang Wang, C. Ciobanu, 2009 .

Structure of Si(1 1 4) determined by global optimization methods

C. Wang, K. Ho, C. Predescu, 2004, cond-mat/0411569.

Predicting the Atomic Configuration of 1- and 2-Dimensional Nanostructures via Global Optimization Methods

Dinesh P. Mehta, Cristian V. Ciobanu, C. Z. Wang, 2010 .

New layered structures of cuprous chalcogenides as thin film solar cell materials: Cu2Te and Cu2Se.

Xin Zhao, Manh Cuong Nguyen, Kai-Ming Ho, 2013, Physical review letters.

Modelling polarized light for computer graphics

John Gustafson, Kai-Ming Ho, K. Ho, 1997 .

Characterization of three phases of liquid carbon by tight-binding molecular dynamics simulations.

Rong Cheng, Chao Wang, K. Ho, 2020, Physical chemistry chemical physics : PCCP.

A transferable tight-binding potential for carbon

Che Ting Chan, Kai-Ming Ho, C. Wang, 1992 .

First-principles pseudopotential calculations for hydrogen in 4d transition metals. I. Mixed-basis method for total energies and forces

K. Ho, C. Chan, C. Elsasser, 1992 .

Surface-state contribution to the electroreflectance of noble metals

K. Ho, S. H. Liu, B. Harmon, 1980 .

sp3-hybridized framework structure of group-14 elements discovered by genetic algorithm

K. Ho, Caizhuang Wang, Xin Zhao, 2014 .

Nonclassical "explosive" nucleation in Pb/Si(111) at low temperatures.

C. Wang, K. Ho, P. Thiel, 2014, Physical review letters.

Fe on graphene: interaction, growth morphology, and thermal stability

K. Ho, Caizhuang Wang, Hai-Qing Lin, 2013 .

Nucleation and growth of Ag islands on the phase of Ag on Si(111)

K. Ho, A. Belianinov, J. W. Evans, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Which D2 fullerene isomer of C84 has been observed

K. Ho, Caizhuang Wang, Xiao-Qian Wang, 1993 .

Structures and energies of compression twin boundaries in hcp Ti and Zr

K. Ho, James R. Morris, C. Chan, 1995 .

Ab initio pseudopotential calculations of total energies and forces for hydrogen in palladium

K. Ho, C. Chan, C. Elsässer, 1991 .

Metal Surface Reconstructions

K. Ho, C. T. Chan, K. Ho, 1996 .

Self-consistent mixed-basis approach to the electronic structure of solids

Steven G. Louie, Kai-Ming Ho, S. Louie, 1979 .

Structural optimization of Lennard-Jones clusters by a genetic algorithm

K. Ho, D. M. Daven, N. Tit, 1996 .

Signature of Al11Sm3 fragments in undercooled Al90Sm10 liquid from ab initio molecular dynamics simulations

C. Wang, Z. Ding, X. Fang, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Molecular dynamics simulation studies of structural and dynamical properties of rapidly quenched Al

Yu Jia, K. Ho, Caizhuang Wang, 2014 .

The role of quantum confinement in the formation of Schottky barriers in Pb-Si interfaces

J. Chelikowsky, K. Ho, Caizhuang Wang, 2015 .

Search for most stable structure of Si8H8 cluster

Wencai Lu, C. Wang, K. Ho, 2003 .

Localization in the core- and 4d-electrons of niobium metal

R. Horning, W. Yelon, J. Staudenmann, 1985 .

Imaging Stacking-Dependent Surface Plasmon Polaritons in Trilayer Graphene

K. Ho, Caizhuang Wang, Minsung Kim, 2022, Physical Review Applied.

Nonequilibrium phonon tuning and mapping in few-layer graphene with infrared nanoscopy

K. Ho, Caizhuang Wang, Minsung Kim, 2021 .

Electronic structure and transport of a carbon chain between graphene nanoribbon leads

C. Wang, K. Ho, Z. Ding, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Energetics of vacancy and substitutional impurities in aluminum bulk and clusters

K. Ho, C. Chan, Zi-zhong Zhu, 1997 .

Nonbasal deformation modes of HCP metals and alloys: Role of dislocation source and mobility

Sean R. Agnew, K. Ho, James R. Morris, 2002 .

Structure and dynamics at the Al(111)-surface

K. Ho, K. Bohnen, J. Schöchlin, 1995 .

Formation of carbon nanotube semiconductor-metal intramolecular junctions by self-assembly of vacancy defects

K. Ho, Caizhuang Wang, E. Yoon, 2007 .

Carbon-rich C9Sin (n = 1–5) clusters from ab initio calculations

Wencai Lu, Q. Zang, Li-zhen Zhao, 2011 .

Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in ZrTe 5

Tao Jiang, K. Ho, Caizhuang Wang, 2023 .

New Motif of Silicon Segregation in Silicon Monoxide Clusters

K. Ho, Huanting Wang, Zhishi Li, 2008 .

Total Energy Calculations for Structural Phase Transformations

B. N. Harmon, C.-T. Chan, Y.-Y. Ye, 1990, Int. J. High Perform. Comput. Appl..

First-principles total energy calculations applied to displacive transformations

K. Ho, B. Harmon, K. Ho, 1990 .

Temperature-dependent structure evolution in liquid gallium

Tiqiao Xiao, Yang Sun, Yang Ren, 2017 .

Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets

K. Ho, Caizhuang Wang, M. Kramer, 2017 .

Structure and dynamics at the Pt(100)-surface

K. Bohnen, A. Wachter, K. Ho, 2010 .

Physical trends in amorphous carbon: A tight-binding molecular-dynamics study

C. Wang, K. Ho, G. Kopidakis, 2004 .

Large-scale atomistic study of core structures and energetics of dislocations in hexagonal close packed metals

K. Ho, James R. Morris, M. Yoo, 2000 .

Two-step nucleation of the Earth’s inner core

K. Ho, Yang Sun, M. Mendelev, 2021, Proceedings of the National Academy of Sciences.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

Manh Cuong Nguyen, Yongxin Yao, Kai-Ming Ho, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Temperature dependence of the phonon frequencies of molybdenum: a tight-binding molecular dynamics study

C. Wang, K. Ho, C. Elsässer, 1999 .

Structure and stability of oxygen adsorption on Si(n) (n = 5-10) clusters.

C. Wang, K. Ho, W. Lu, 2005, Physical chemistry chemical physics : PCCP.

Structures and properties of Si13 isomers

C. Wang, B. Pan, D. Turner, 1998 .

Genetic algorithm optimization of atomic clusters

James R. Morris, D. M. Deaven, K. M. Ho, 1996 .

Prediction of a {1122} hcp stacking fault using a modified generalized stacking-fault calculation

K. Ho, James R. Morris, M. Yoo, 1997 .

Quantum phase transition and ferromagnetism in Co1+xSn

K. Ho, Caizhuang Wang, G. Hadjipanayis, 2019, Physical Review B.

The Anisotropic Free Energy of the Solid-Liquid Phase Boundary in Al

K. Ho, Z. Y. Lu, Y. Ye, 2002 .

Characterizations of electronic and optical properties of Sb-based phase-change material stabilized by alloying Cr

X. Miao, K. Ho, Caizhuang Wang, 2021 .

Polyamorphism in K2Sb8Se13 for multi-level phase-change memory

X. Miao, K. Ho, Caizhuang Wang, 2020 .

HYDROGEN-INDUCED STRUCTURAL CHANGES IN TETRAHEDRAL AMORPHOUS CARBON

C. Soukoulis, C. Wang, G. Kopidakis, 1998 .

A tight-binding molecular dynamics study of phonon anharmonic effects in diamond and graphite

C. Soukoulis, C. Wang, K. Ho, 1997 .

A Tight-Binding Model for Molecular Dynamics of Carbon-Hydrogen Systems

C. Soukoulis, C. Wang, K. Ho, 1994 .

γ-α isostructural transition in cerium.

K. Ho, Caizhuang Wang, G. Kotliar, 2013, Physical review letters.

Iron-rich Fe-O compounds with closest-packed layers at core pressures

K. Ho, Caizhuang Wang, Yang Sun, 2021, 2110.00524.

Mode distribution in coherently amplifying random media

Qiming Li, C. Soukoulis, K. Ho, 2001 .

Hydrogen chemisorption on Si(111)

M. Schlüter, K. Ho, Marvin L. Cohen, 1977 .

Transferable tight-binding models for silicon.

Wang, Kwon, Biswas, 1994, Physical review. B, Condensed matter.

Superconductivity in the Li-B-C system at 100 GPa

Caizhuang Wang, Shunqing Wu, Yang Sun, 2023, Physical Review B.

Pressure-induced superconductivity in the hydrogen-rich pseudobinary CaB−Hn compounds

Wei Qin, Wencai Lu, C. Wang, 2021, Physical Review B.

Novel superconducting structures of BH2 under high pressure.

Wencai Lu, Q. Zang, C. Wang, 2019, Physical chemistry chemical physics : PCCP.

Crystal Structure Prediction

K. Ho, Caizhuang Wang, C. Ciobanu, 2013 .

The Challenge of Predicting Atomic Structure

Caizhuang Wang, C. Ciobanu, K. Ho, 2013 .

Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction.

Min Ji, Kai-Ming Ho, Cai-Zhuang Wang, 2010, Physical chemistry chemical physics : PCCP.

Identification of post-pyrite phase transitions in SiO2 by a genetic algorithm

K. Ho, Caizhuang Wang, Shunqing Wu, 2011 .

Effect of oxygen on the stability of Ag islands on Si(111)-7 × 7

C. Wang, K. Ho, N. Lu, 2012 .

Environment-dependent tight-binding potential model

K. Ho, Caizhuang Wang, C. Chan, 1996 .

Structural Model of the Rev Regulatory Protein from Equine Infectious Anemia Virus

Jae-Hyung Lee, D. Dobbs, S. Carpenter, 2009, PloS one.

Phase Diagram and Electronic Structure of Praseodymium and Plutonium

K. Ho, Caizhuang Wang, G. Kotliar, 2015 .

Magnetism of new metastable cobalt-nitride compounds.

Caizhuang Wang, A. Enders, D. Sellmyer, 2018, Nanoscale.

Laser-micromachined millimeter-wave photonic band-gap cavity structures

M. Sigalas, R. Biswas, G. Tuttle, 1995 .

Structures of defects on anatase TiO2(001) surfaces.

K. Ho, Caizhuang Wang, Jin Zhao, 2017, Nanoscale.

Negative effective gravity in water waves by periodic resonator arrays.

Kai-Ming Ho, Xinhua Hu, Jian Zi, 2011, Physical review letters.

Perfectly matched layer absorption boundary condition in planewave based transfer-scattering matrix method for photonic crystal device simulation.

M. Miyawaki, Z. Ye, Xinhua Hu, 2008, Optics express.

High-efficiency calculations for three-dimensional photonic crystal cavities.

K. Ho, M. Miyawaki, Z. Y. Li, 2006, Optics letters.

Integrated horns for improved side coupling into in-plane three-dimensional photonic crystal waveguides

Kai-Ming Ho, Gary Tuttle, G. Tuttle, 2004 .

Light coupling with multimode photonic crystal waveguides

K. Ho, Zhiyuan Li, Lan-Lan Lin, 2004 .

Waveguides in three-dimensional layer-by-layer photonic crystals

Kai-Ming Ho, K. Ho, Zhiyuan Li, 2003 .

Microwave Applications of Photonic Band Gap Structures

M. Sigalas, R. Biswas, G. Tuttle, 2000, 2000 30th European Microwave Conference.

Dielectric waveguides in two-dimensional photonic bandgap materials

Kai-Ming Ho, Mihail M. Sigalas, Rana Biswas, 1999 .

Waveguide bends in three-dimensional layer-by-layer photonic bandgap materials

Costas M. Soukoulis, Mihail M. Sigalas, Rana Biswas, 1999 .

Structural and dynamical properties of liquid Ag74Ge26 alloy studied by experiments and ab initio molecular dynamics simulation

K. Ho, Caizhuang Wang, T. Xiao, 2015 .

Competition between fcc and icosahedral short-range orders in pure and samarium-doped liquid aluminum from first principles

K. Ho, Congjun Wang, Ding Zenghui, 2011 .

Experimental and ab initio molecular dynamics simulation studies of liquid Al[subscript 60]Cu[subscript 40] alloy

Ames, K. Ho, M. Kramer, 2009 .

Evolution of short- and medium-range order in the melt-quenching amorphization of Ge2Sb2Te5

X. Miao, Caizhuang Wang, Songyou Wang, 2018 .

Cooling rates dependence of medium-range order development in C u 64 . 5 Z r 35 . 5 metallic glass

K. Ho, M. Kramer, Congjun Wang, 2015 .

Atomistic cluster alignment method for local order mining in liquids and glasses

K. Ho, Caizhuang Wang, Z. Ding, 2010 .

The Effect of Photonic Crystals on Dipole Antennas

M. Sigalas, R. Biswas, D. D. Crouch, 1999 .

Enhanced light emission in semiconductor nanowire arrays

R. Biswas, K. Ho, Chun Xu, 2013 .

Microporous phase-separated films of polymer blends for enhanced outcoupling of light from OLEDs.

K. Ho, Rui Liu, Z. Ye, 2011, Optics express.

Structural features of chalcogenide glass SiTe: An ovonic threshold switching material

X. Miao, K. Ho, Caizhuang Wang, 2021, APL Materials.

Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations.

K. Ho, Caizhuang Wang, Songyou Wang, 2020, Physical chemistry chemical physics : PCCP.

Temperature dependence of structural, dynamical, and electronic properties of amorphous Bi2Te3: an ab initio study

Y. X. Zheng, S. Y. Wang, C. Wang, 2019, New Journal of Physics.

The local structural differences in amorphous Ge-Sb-Te alloys

K. Ho, S.Y. Wang, C. Qiao, 2019, Journal of Alloys and Compounds.

How arsenic makes amorphous GeSe a robust chalcogenide glass for advanced memory integration

K. Ho, Caizhuang Wang, Ming Xu, 2022, Scripta Materialia.

Influence of the electronic structure on the ductile behavior of B2 CsCl-type AB intermetallics

Min Ji, J. L. Larson, Kai-Ming Ho, 2009 .

First-principles study of direct and narrow band gap semiconducting β-CuGaO2

Caizhuang Wang, Xin Zhao, M. C. Nguyen, 2015 .

HOT Graphene and HOT Graphene Nanotubes: New Low Dimensional Semimetals and Semiconductors

K. Ho, Shunqing Wu, Zi-zhong Zhu, 2020, Nanoscale Research Letters.

The geometry of large fullerene cages: C72 to C102

K. Ho, C. Chan, Chaohui Wang, 1993 .

Metals on Graphene: Interactions, Growth Morphology, and Thermal Stability

K. Ho, Caizhuang Wang, Hai-Qing Lin, 2013 .

‘Crystal Genes’ in Metallic Liquids and Glasses

K. Ho, Caizhuang Wang, M. Kramer, 2014, Scientific Reports.

Short- and medium-range order in a Zr[subscript 73]Pt[subscript 27] glass: Experimental and simulation studies

M. J. Kramer, Daniel J. Sordelet, Song-You Wang, 2008 .

Benchmark of correlation matrix renormalization method in molecule calculations

Wencai Lu, K. Ho, Caizhuang Wang, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Design of midinfrared photodetectors enhanced by resonant cavities with subwavelength metallic gratings

Kai-Ming Ho, Zhuo Ye, Xinhua Hu, 2008 .

Visible three-dimensional metallic photonic crystal with non-localized propagating modes beyond waveguide cutoff.

Shawn-Yu Lin, Zu-Po Yang, Yong-Sung Kim, 2007, Optics express.

Enhanced complete photonic band gap in the optimized planar diamond structure

R. Biswas, K. Ho, I. El-Kady, 2003 .

Unveiling the mechanism of phase and morphology selections during the devitrification of Al-Sm amorphous ribbon

K. Ho, Caizhuang Wang, M. Kramer, 2021 .

Incomplete melting of the Si(100) surface from molecular-dynamics simulations using the effective-medium tight-binding model

D. M. Deaven, J. Nørskov, C. Wang, 1996, cond-mat/9604012.

Environment-Dependent Tight-Binding Potential Models

C. Wang, K. Ho, K. Ho, 1997 .

Structures of medium-sized silicon clusters

Bicai Pan, Zhong-Yi Lu, Martin F. Jarrold, 1998, Nature.

Modeling ionic mobilities by scattering on electronic density isosurfaces: Application to silicon cluster anions

A. Shvartsburg, M. Jarrold, K. Ho, 2000 .

Metal Nanostructure Formation on Graphene: Weak versus Strong Bonding

Wencai Lu, K. Ho, Caizhuang Wang, 2011, Advanced materials.

Development of a deep machine learning interatomic potential for metalloid-containing Pd-Si compounds

K. Ho, Caizhuang Wang, M. Kramer, 2019, Physical Review B.

Predicting binding sites of hydrolase-inhibitor complexes by combining several methods

Vasant G Honavar, X. Gu, Changhui Yan, 2004, BMC Bioinformatics.

Three-dimensional threading approach to protein structure recognition

Drena Dobbs, James R. Morris, Mehmet F. Su, 2004 .

Ab-initio simulations of coherent phonon-induced pumping of carriers in zirconium pentatelluride

Tao Jiang, Caizhuang Wang, L. Luo, 2023, Communications Physics.

A light-induced phononic symmetry switch and giant dissipationless topological photocurrent in ZrTe5

K. Ho, G. Gu, I. Perakis, 2021, Nature Materials.

Correlation between Dynamics and Atomic Structures in Cu-Zr Metallic Glasses

K. Ho, Caizhuang Wang, M. Kramer, 2015 .

Iron-rich Fe–O compounds at Earth’s core pressures

Yang Sun, V. Prakapenka, Jung‐Fu Lin, 2022, Innovation (Cambridge (Mass.)).

Application of structural symmetries in the plane-wave-based transfer-matrix method for three-dimensional photonic crystal waveguides

Kai-Ming Ho, K. Ho, Zhiyuan Li, 2003 .

Crystal structure and magnetic properties of new Fe3Co3X2 (X = Ti, Nb) intermetallic compounds

K. Ho, Caizhuang Wang, D. Sellmyer, 2016 .

Atomic structure and magnetic properties of Fe1–xCox alloys

K. Ho, Caizhuang Wang, Xin Zhao, 2012 .

Neural network potential for Zr–Rh system by machine learning

K. Ho, Caizhuang Wang, Chao Zhang, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

Effective dielectric constant of periodic composite structures.

Datta, Chan, Ho, 1993, Physical review. B, Condensed matter.

Evolution of optical properties of tin film from solid to liquid studied by spectroscopic ellipsometry and ab initio calculation

K. Ho, Rongjun Zhang, Congjun Wang, 2014 .

Undissociated screw dislocation in Si: Glide or shuffle set?

K. Ho, Caizhuang Wang, Ju Li, 2006 .

Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study

K. Ho, Caizhuang Wang, M. Kramer, 2017 .

First-principles studies of structures and stabilities of Pb/Si(111)

C. Wang, K. Ho, T. Chan, 2003 .

Atomic models, domain-wall arrangement, and electronic structure of the dense Pb/Si(111)-(3)×(3) phase

C. Wang, K. Ho, T. Chan, 2002 .

Simulation studies of the stability and growth kinetics of Pt-Sn phases using a machine learning interatomic potential

Huaijun Sun, Feng Zhang, Caizhuang Wang, 2023, Computational Materials Science.

A deep learning interatomic potential developed for atomistic simulation of carbon materials

K. Ho, Caizhuang Wang, Chao Zhang, 2022, Carbon.

Crystallization of the P3Sn4 Phase upon Cooling P2Sn5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

K. Ho, Caizhuang Wang, T. Wen, 2021 .

Development of interatomic potential for Al-Tb alloys using a deep neural network learning method.

K. Ho, Caizhuang Wang, M. Kramer, 2020, Physical chemistry chemical physics : PCCP.

Cooling rate dependence of structural order in Ni62Nb38 metallic glass

K. Ho, Caizhuang Wang, T. Wen, 2018 .

Structural and chemical orders in Ni64.5Zr35.5 metallic glass by molecular dynamics simulation

K. Ho, Caizhuang Wang, T. Wen, 2018, 1801.01008.

Crystal genes in a marginal glass-forming system of Ni50Zr50.

C. Wang, K. Ho, L. Tang, 2017, Physical chemistry chemical physics : PCCP.

Si-centered capped trigonal prism ordering in liquid Pd82Si18 alloy study by first-principles calculations

K. Ho, Caizhuang Wang, M. Kramer, 2017 .

Exploring the structural complexity of intermetallic compounds by an adaptive genetic algorithm.

C Z Wang, C. Wang, K. Ho, 2014, Physical review letters.

Structural and chemical orders in Ni 64 . 5 Zr 35 . 5 metallic glass by molecular dynamics simulation

C. Wang, K. Ho, L. Tang, 2018 .

The Genetic Algorithm in Real‐Space Representation

Caizhuang Wang, C. Ciobanu, K. Ho, 2013 .

Bonding and charge transfer by metal adatom adsorption on graphene

Wencai Lu, K. Ho, Xiaojie Liu, 2011 .

Surface structure of gold and silver (110)-surfaces

K. Ho, K. Bohnen, K. Ho, 1995 .

A coefficient average approximation towards Gutzwiller wavefunction formalism

K. Ho, Caizhuang Wang, Yongxin Yao, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles study of C96 fullerene isomers

C. Wang, K. Ho, Xiao-Qian Wang, 1993 .

Relative stability of C78 isomers

K. Ho, Caizhuang Wang, B. L. Zhang, 1992 .

First principles calculation of lattice relaxation and surface phonons on Al(100)

K. Ho, K. Bohnen, K. Ho, 1988 .

Electronic structures of C82 fullerene isomers

C. Wang, K. Ho, Xiao-Qian Wang, 1994 .

Optical photonic crystals synthesized from colloidal systems of polystyrene spheres and nanocrystalline titania

M. Sigalas, R. Biswas, K. Ho, 1999 .

Photonic band gaps of porous solids

M. Sigalas, R. Biswas, C. Soukoulis, 2000 .

Photonic band gaps in colloidal systems

Ganapathi S. Subramania, Mihail M. Sigalas, Rana Biswas, 1998 .

Magnetic Moment Enhancement for Mn7 Cluster on Graphene

Caizhuang Wang, Hai-Qing Lin, Xiaojie Liu, 2014 .

Soft holographic interference lithography microlens for enhanced organic light emitting diode light extraction.

W. Leung, K. Ho, Z. Ye, 2011, Optics express.

Structure, dynamics, and electronic properties of diamondlike amorphous carbon.

Wang, Ho, Caizhuang Wang, 1993, Physical review letters.

Charge-transfer effects in graphite intercalates: Ab initio calculations and neutron-diffraction experiment.

Eklund, Chan, Ho, 1987, Physical review letters.

Spatial decomposition of magnetic anisotropy in magnets: Application to doped Fe16N2

K. Ho, Caizhuang Wang, M. C. Nguyen, 2020, Physical Review B.

Experimental and theoretical results for a two‐dimensional metal photonic band‐gap cavity

David R. Smith, M. Sigalas, S. Schultz, 1994 .

Effect of nitrogen doping and pressure on the stability of LuH3

K. Ho, Shunqing Wu, Yang Sun, 2023, Physical Review B.

Machine learning guided discovery of superconducting calcium borocarbides

Huaijun Sun, Caizhuang Wang, Chao Zhang, 2023, Physical Review B.

Core energy and Peierls stress of a screw dislocation in bcc molybdenum: A periodic-cell tight-binding study

K. Ho, Caizhuang Wang, V. Bulatov, 2004 .

Development of interatomic potentials appropriate for simulation of liquid and glass properties of NiZr2 alloy

K. Ho, M. Kramer, M. Mendelev, 2012 .

Topological states in A15 superconductors

K. Ho, Caizhuang Wang, Minsung Kim, 2018, Physical Review B.

Prediction of novel stable Fe-V-Si ternary phase

K. Ho, Caizhuang Wang, Xin Zhao, 2018 .

Microscopic origin of slow dynamics at the good glass forming composition range in Zr1-xCux metallic liquids

M. J. Kramer, Cai-Zhuang Wang, K. Ho, 2010 .

Competitive B2 and B33 Nucleation during Solidification of Ni50Zr50 Alloy: Molecular Dynamics Simulation and Classical Nucleation Theory

K. Ho, Caizhuang Wang, Yang Sun, 2019, The Journal of Physical Chemistry C.

Temperature dependence of the solid-liquid interface free energy of Ni and Al from molecular dynamics simulation of nucleation.

Caizhuang Wang, Yang Sun, M. Mendelev, 2018, The Journal of chemical physics.

Nucleation of stoichiometric compounds from liquid: Role of the kinetic factor

C. Wang, M. Mendelev, H. Song, 2017, 1711.09806.

Phase stability, bonding mechanism, and elastic constants of Mo5Si3 by first-principles calculation

K. Ho, Xindong Wang, C. Fu, 1999 .

Evidence for relaxation of parallel momentum conservation for interfacial photoemission

D. Grider, P. Lange, H. Neff, 1981 .

Observation of surface states on Ag(100) by infrared and visible electroreflectance spectroscopy

K. Ho, S. H. Liu, D. Kolb, 1981 .

Effect of disorder on photonic band gaps

M. Sigalas, R. Biswas, C. Soukoulis, 1999 .

Structural heterogeneity and medium-range order in Zr{sub x}Cu{sub 100-x} metallic glasses

K. Ho, M. Kramer, Chaohui Wang, 2009 .

Short- and medium-range order in amorphous Zr 2 Ni metallic alloy

C. Wang, K. Ho, M. Kramer, 2010 .