Materials Theory and Principles

Erika Birgit Kaufmann Purdue University USA
Theory of Materials Formed as Complements of Triply Periodic CMC Surfaces

Jun Zhang Chinese Academy of Sciences China
Sideband Raman cooling of Lattice Phonons in Semiconductors

Peihong Zhang University at Buffalo USA
Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions

Yoshitada Morikawa Osaka University Japan
First-principles theoretical study on crystal growth and etching processes at semiconductor surfaces and interfaces

Xiaodong Wang University of Chinese Academy of Sciences China
Lorentz Force Particle Analyzer

Andrew W Otieno Northern Illinois University USA
Effects of material flow stress models on the prediction of machining data : A case study of Low Carbon and Alloy Steels

Chee Kwan Gan Institute of High Performance Computing Singapore
Efficient and direct first-principles determination of thermal properties of metal chalcogenides and transition metal dichalcogenides

Min Chen Tsinghua University China
Relationship Between the Sliding Property of a Surface and its Icephobicity

Keisuke Ishizeki  Tokyo University of Science Japan
Million-Atom Simulation on Inelastic Electronic Transport in Carbon Nanotubes

Huaming Li Taiyuan  University of Technology China
Thermodynamic properties by equation of state and from Ab initio molecular dynamics of liquid sodium and potassium under pressure

Michihisa Koyama Kyushu University Japan
Practical Applications of Computational Chemistry to Functional Materials in Future Energy Devices

Ryusuke Ikeda Kyoto University Japan
Theory of field-induced transformation of vortex lattice structure in non-centrosymmetric superconductors

Vladimir Saveljev Myongji University Korea
Physical model and computer simulation of the moire effect in nano-particles

Jyh-Chiang Jiang National Taiwan University of Science and Technology Taiwan
The theoretical study of methane activation on IrO2(110) surface

Elena V. Gribanova Saint-Petersburg State University Russia
On the problems of adsorption and adsorbents

Yong W. Kim Lehigh University USA
First-Principle Modeling of Disorder in Alloys

Miguel A. San-Miguel Instituto de Química Brazil
Metallic Nanoparticles Growth on Semiconductor Surfaces upon Electron Irradiation from Theoretical Calculations

Kesong Yang University of California San Diego USA
High-Throughput Computational Design of Perovskite-Based Advanced Functional Materials: Two-Dimensional Electron Gas Systems

Hong Sun Shanghai Jiao Tong University China
Generate extreme terapascal static pressure within diamond anvil cell: A first principles predication

Ruihua He Boston College USA
Discovery of a Novel Emergent Phenomenon in Solids–3D Negative Electronic Compressibility

Wei-Min Zhang National Cheng Kung University Taiwan Taiwan
Non-Markovian Decoherence dynamics of nanoparticle in various nanostructure

Juan E. Peralta Central Michigan University USA
Magnetic Exchange Couplings in Transition Metal Complexes and Nanostructures from First-principles

Yong Jiang Central South University China
Fundamental study on helium interaction with grain boundaries and nano-oxide interfaces in nano-structured ferritic alloys

Francesco Caravaglios University of Milano Italy
Understanding the risks: new physics theories, beyond  quantum mechanics and second quantization

Seong-Gon Kim Mississippi State University USA
First principles study of the structural and electronic properties of the novel electride Halfnium sulfide

Aimin WU Dalian University of Technology China
Optimum design and process of the anticorrosion and conductive metallic bipolar plate for PEMFC and its application in fuel cell vehicles

Sung-Kwan Mo Lawrence Berkeley National Laboratory USA
Electronic structures of atomically thin epitaxially grown transition metal dichalcogenides

Keisuke Shibuya National Institute of Advanced Industrial Science and Technology  Japan
Controlling electronic phase of vanadium dioxide thin films

Kenji Shiraishi Nagoya University Japan
First principles and thermodynamic studies of GaN MOVPE growth

Choongyu Hwang Pusan National University Korea
Many-body interactions in graphene interfaces

Zheng Bo Zhejiang University China
Atomic insights into the ion movements in nano-confined spaces

Hideo Ando Yamagata University Japan
Resonating Hartree-Fock Theory beyond Adiabatic Approximation and Its Application to Strongly-Correlated Systems

Operating Organization


Weizmann Institute of Science

Kwangwoon University