PoS - Proceedings of Science

The 2013 International Workshop on Computational Science and Engineering

14-17 October, 2013
National Taiwan University, Taipei, Taiwan
published December 10, 2014
The First International Workshop on Computational Science and Engineering was held on the campus of National Taiwan University Taipei, Taiwan from Monday 14th October to Thursday 17th October 2013. This workshop brought together a global community of researchers in science and engineering, who employ numerical and computational methods to study mathematical, physical, chemical, and engineering problems. IWCSE 2013 covers many areas of computational science and engineering, with the underlying theme to address the state-of-the-art algorithms and hardware architectures, as well as the breakthroughs in science and engineering resulting from these high performance computations. The topics include: (I) Supercomputer/GPU and Algorithms; (II) Numerical Linear Algebra; (III) Lattice QCD; (IV) Atomic, Molecular, and Optical Physics; (V) Computational Condensed Matter Physics and Material Sciences; (VI) Quantum Chemistry; and (VII) Computational Fluid Dynamics.
conference main image
Plenary Sessions
Atomic, Molecular, and Optical Physics
Chemical Dynamics on Interfaces
Computational Biofluids
Computational Condensed Matter Physics and Material Sciences
Computational Geosciences
Condensed-Phase Quantum Dynamics
Density Functional Theory and Its Applications
Finite Element and Particle Methods for Fluid Problems
HPC and Its Applications
Lattice QCD
Multiscale Modeling of Complex Molecular Systems
Numerical Linear Algebra and Its Applications
Supercomputer/GPU and Algorithms
Plenary Sessions
Efficient computation methods for 3D microscopic ellipsometry
PoS(IWCSE2013)001 pdf Y.C. Chang and H.Y. Xie
Addressing Dirac's challenge: practical quantum mechanics for materials
PoS(IWCSE2013)002 file missing J. Chelikowsky
Computational studies of two-dimensional materials: From graphene to few-layer graphene and beyond
PoS(IWCSE2013)003 file missing M.Y. Chou
QCD at one petaflops
PoS(IWCSE2013)004 file missing N.H. Christ
New frontiers opened by the K Computer
PoS(IWCSE2013)005 file missing K. Hirao
Scalability, portability, and numerical stability in GPU computing
PoS(IWCSE2013)006 file missing W.m. Hwu
An algorithm for finding eigenpairs in the interior of the spectrum of large hermitian matrices
PoS(IWCSE2013)007 file missing A.D. Kennedy
Small is different: self-assembly and self-selection of size, shape, and form in the nanoscale
PoS(IWCSE2013)008 file missing U. Landman
Theoretical Studies on Recently Discovered Organic Superconductors
PoS(IWCSE2013)009 pdf attachments H.Q. Lin
Multi-scale fluid flows with moving boundaries using locally adaptive cartesian grid methods
PoS(IWCSE2013)010 file missing W. Shyy
Why we need Exascale, and why we won't get there by 2020
PoS(IWCSE2013)011 file missing H.D. Simon
Atomic, Molecular, and Optical Physics
Quantum coherent control of pi-electron rotations in a nonplanar chiral molecule
PoS(IWCSE2013)012 pdf H. Mineo
Resonance-enhanced below-threshold harmonic generation of He atoms in few-cycle laser fields
PoS(IWCSE2013)013 pdf P.C. Li and S.I. Chu
Comparisons of optical absorption spectra of bulk gold by PBE and GLLB-SC
PoS(IWCSE2013)014 file missing I.B. Lin
Radiation induced force in dielectric waveguide
PoS(IWCSE2013)015 file missing T.J. Lin
Chemical Dynamics on Interfaces
CO2 binding by nucleophilic attack: from methodology comparison to the reaction dynamics
PoS(IWCSE2013)016 file missing M.K. Tsai
The reaction dynamics of ethylene adsorption onto Si(001) surface: Short time Fourier transform approach
PoS(IWCSE2013)017 file missing J.S. Lin
Microkinetic study of ammonia oxidation on RuO2(110) surfaces
PoS(IWCSE2013)018 file missing J.C. Jiang
Computational Biofluids
Computational model for investigating acoustic hemostasis
PoS(IWCSE2013)019 pdf M. Solovchuk and W.H. Sheu
Chemotactic bioconvection of aerotactic bacteria
PoS(IWCSE2013)020 file missing Y. Deleuze
Numerical analysis of coupled effects of pulsatile blood flow and thermal relaxation time during thermal therapy
PoS(IWCSE2013)021 file missing T.L. Horng
Computational Condensed Matter Physics and Material Sciences
Modulating electrons and phonons in two-dimensional silicon nanostructures
PoS(IWCSE2013)022 pdf R. Zhang
A novel transfer matrix renormalization group method on the accurate long-time dynamics of quantum chains
PoS(IWCSE2013)023 file missing Y.K. Huang
On ground states of spin-1 Bose-Einstein condensates with/without external magnetic field
PoS(IWCSE2013)024 file missing I.L. Chern
Correlated valence-bond states
PoS(IWCSE2013)025 file missing Y.C. Lin
Materials simulations using QMC, GWA and BSE
PoS(IWCSE2013)026 file missing C.M. Wei
Annihilation and creation of Majorana fermions through quantum quench: a quantum information perspective
PoS(IWCSE2013)027 file missing M.C. Chung
Entanglement entropy scaling of the XXZ chain
PoS(IWCSE2013)028 file missing P. Chen
Field induced superlattice modulation in hole-doped iron-pnictide superconductors
PoS(IWCSE2013)029 file missing H.Y. Chen
Coherent control and enhancement of high-order harmonic spectra of atoms driven by intense frequency comb laser fields
PoS(IWCSE2013)030 file missing F. Li
Computational Geosciences
Application of shallow-water models in the analysis of landslide motion
PoS(IWCSE2013)031 file missing C.Y. Kuo
Numerical simulation of turbulent Rayleigh-Taylor instability induced by the suspension of fine particles
PoS(IWCSE2013)032 file missing Y.J. Chou
Numerical solutions of the initial value problems of two-dimensional semi-classical Boltzmann model equations
PoS(IWCSE2013)033 file missing J.Y. Yang
Condensed-Phase Quantum Dynamics
Semiclassical approach for all-atom nonadabatic simulations of excitation energy transfer processes in photosynthetic complexes
PoS(IWCSE2013)034 pdf Y.M. Rhee
Witnessing quantum coherence
PoS(IWCSE2013)035 file missing Y.N. Chen
Coherent charge transport in organic semiconductor
PoS(IWCSE2013)036 file missing Y. Zhao
Density Functional Theory and Its Applications
Restoration of the derivative discontinuity in Kohn-Sham density functional theory: An efficient scheme for energy gap correction
PoS(IWCSE2013)037 file missing J.D. Chai
Single-molecule conductance through chiral gold nanotubes
PoS(IWCSE2013)038 file missing C.C. Kaun
Analytical derivative techniques for TDDFT excited-state properties: Theory and application
PoS(IWCSE2013)039 file missing W. Liang
Fractional charge behaviour and band gap preditions with the XYG3 type of doubly hybrid density functionals
PoS(IWCSE2013)040 file missing X. Xu
Density functional theory for comprehensive orbital energy calculations
PoS(IWCSE2013)041 file missing T. Tsuneda
Efficient methods for computing exchange-correlation potentials for orbital-dependent functionals
PoS(IWCSE2013)042 file missing V. Staroverov
Density functional study for weakly interacting systems: Recent development of local response dispersion method
PoS(IWCSE2013)043 file missing H. Nakai
A constrained reduced-dimensionality search algorithm for studying complicated chemical reactions
PoS(IWCSE2013)044 file missing C.H. Yu
Multi-scale modeling of junctionless field-effect transistors
PoS(IWCSE2013)045 file missing G. Chen
Time-dependent effective potential and exchange kernel of homogeneous electron gas
PoS(IWCSE2013)046 file missing V. Nazarov
Two-Point Weighted Density Approximations for the Kinetic Energy and Exchange-Correlation Energy
PoS(IWCSE2013)047 file missing P. Ayers
Finite Element and Particle Methods for Fluid Problems
Point-implicit diffusion operator in a moving particle method (MPPM)
PoS(IWCSE2013)048 file missing Y.H. Hwang
Pseudospectral and Runge-Kutta-Nyström methods for second-order wave equations
PoS(IWCSE2013)049 file missing C.H. Teng
A discontinuous Galerkin method for initial value problems of Rarefied gas flows of arbitrary statistics
PoS(IWCSE2013)050 file missing M. Diaz
MPS simulation on flow sequence of liquid particles
PoS(IWCSE2013)051 file missing K.C. Ng
HPC and Its Applications
Massive System deployment with open source software, Clonezilla
PoS(IWCSE2013)052 file missing S. Shiau
The development of peta-scale earth science observation database
PoS(IWCSE2013)053 file missing F.P. Lin
Numerical simulation of laser wake field acceleration with air medium
PoS(IWCSE2013)054 file missing C.H. Wang
Lattice QCD
Probing TeV physics through lattice neutron-decay matrix elements
PoS(IWCSE2013)055 pdf H.W. Lin
Multigrid algorithms for lattice nuclear physics
PoS(IWCSE2013)056 file missing S. Cohen
Selected lattice QCD results from Budapest, Marseille and Wuppertal
PoS(IWCSE2013)057 file missing K. Szabo
Projection of low-lying eigenmodes in lattice QCD with domain-wall fermion
PoS(IWCSE2013)058 pdf T.W. Chiu and T.H. Hsieh
One-Flavor Algorithms for Simulation of Lattice QCD with Domain-Wall Fermion: EOFA versus RHMC
PoS(IWCSE2013)059 pdf Y.C. Chen and T.W. Chiu
Multiscale Modeling of Complex Molecular Systems
Multiscale Markov state modeling of Ligand-Perturbed protein dynamics
PoS(IWCSE2013)060 file missing J.H. Lin
Multiscale modeling and simulation via fluctuating hydrodynamics
PoS(IWCSE2013)061 file missing J.W. Chu
Multiscale molecular simulation of solution-processed bulk Heterojunction polymer solar cells
PoS(IWCSE2013)062 file missing C.W. Pao
Numerical Linear Algebra and Its Applications
Eigendecomposition of the discrete double-curl operator with application to fast eigensolver for 3D photonic crystals
PoS(IWCSE2013)063 file missing W.W. Lin
Numerical experiences in band gap simulation of three-dimensional photonic crystals
PoS(IWCSE2013)064 file missing T.M. Huang
Novel linear algebraic theory and one-hundred-million-atom quantum material simulations on the K computer
PoS(IWCSE2013)065 pdf T. Hoshi
Supercomputer/GPU and Algorithms
Multi-dimensional Range Query Processing on the GPU
PoS(IWCSE2013)066 file missing B. Nam
Design and implementation of fast DGEMM on GPUs
PoS(IWCSE2013)067 file missing G. Tan
Accelerated composite distribution function methods for computational fluid dynamics using GPU
PoS(IWCSE2013)068 pdf M. Smith and Y.C. Chen
A GPU accelerated explicit finite-volume Euler equation solver with ghost-cell approach
PoS(IWCSE2013)069 file missing F.A. Kuo
High-performance linear recurrence, and its applications
PoS(IWCSE2013)070 file missing L.W. Chang
A new non-blocking approach on GPU dynamical memory management
PoS(IWCSE2013)071 pdf J.Y. Lee
An accurate implicit anti-diffusive Weno Rans solver for the simulation of Axisymmetric Scramjet flows
PoS(IWCSE2013)072 file missing J.C. Huang