IWCSE2013
14-17 October, 2013
National Taiwan University, Taipei, Taiwan
published December 10, 2014
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.
| Plenary Sessions |
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Efficient computation methods for 3D microscopic ellipsometry
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Addressing Dirac's challenge: practical quantum mechanics for materials
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Computational studies of two-dimensional materials: From graphene to few-layer graphene and beyond
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QCD at one petaflops
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New frontiers opened by the K Computer
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Scalability, portability, and numerical stability in GPU computing
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An algorithm for finding eigenpairs in the interior of the spectrum of large hermitian matrices
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Small is different: self-assembly and self-selection of size, shape, and form in the nanoscale
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Theoretical Studies on Recently Discovered Organic Superconductors
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Multi-scale fluid flows with moving boundaries using locally adaptive cartesian grid methods
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Why we need Exascale, and why we won't get there by 2020
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| Atomic, Molecular, and Optical Physics |
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Quantum coherent control of pi-electron rotations in a nonplanar chiral molecule
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Resonance-enhanced below-threshold harmonic generation of He atoms in few-cycle laser fields
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Comparisons of optical absorption spectra of bulk gold by PBE and GLLB-SC
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Radiation induced force in dielectric waveguide
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| Chemical Dynamics on Interfaces |
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CO2 binding by nucleophilic attack: from methodology comparison to the reaction dynamics
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The reaction dynamics of ethylene adsorption onto Si(001) surface: Short time Fourier transform approach
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Microkinetic study of ammonia oxidation on RuO2(110) surfaces
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| Computational Biofluids |
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Computational model for investigating acoustic hemostasis
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Chemotactic bioconvection of aerotactic bacteria
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Numerical analysis of coupled effects of pulsatile blood flow and thermal relaxation time during thermal therapy
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| Computational Condensed Matter Physics and Material Sciences |
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Modulating electrons and phonons in two-dimensional silicon nanostructures
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A novel transfer matrix renormalization group method on the accurate long-time dynamics of quantum chains
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On ground states of spin-1 Bose-Einstein condensates with/without external magnetic field
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Correlated valence-bond states
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Materials simulations using QMC, GWA and BSE
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Annihilation and creation of Majorana fermions through quantum quench: a quantum information perspective
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Entanglement entropy scaling of the XXZ chain
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Field induced superlattice modulation in hole-doped iron-pnictide superconductors
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Coherent control and enhancement of high-order harmonic spectra of atoms driven by intense frequency comb laser fields
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| Computational Geosciences |
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Application of shallow-water models in the analysis of landslide motion
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Numerical simulation of turbulent Rayleigh-Taylor instability induced by the suspension of fine particles
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Numerical solutions of the initial value problems of two-dimensional semi-classical Boltzmann model equations
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| Condensed-Phase Quantum Dynamics |
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Semiclassical approach for all-atom nonadabatic simulations of excitation energy transfer processes in photosynthetic complexes
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Witnessing quantum coherence
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Coherent charge transport in organic semiconductor
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| Density Functional Theory and Its Applications |
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Restoration of the derivative discontinuity in Kohn-Sham density functional theory: An efficient scheme for energy gap correction
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Single-molecule conductance through chiral gold nanotubes
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Analytical derivative techniques for TDDFT excited-state properties: Theory and application
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Fractional charge behaviour and band gap preditions with the XYG3 type of doubly hybrid density functionals
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Density functional theory for comprehensive orbital energy calculations
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Efficient methods for computing exchange-correlation potentials for orbital-dependent functionals
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Density functional study for weakly interacting systems: Recent development of local response dispersion method
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A constrained reduced-dimensionality search algorithm for studying complicated chemical reactions
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Multi-scale modeling of junctionless field-effect transistors
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Time-dependent effective potential and exchange kernel of homogeneous electron gas
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Two-Point Weighted Density Approximations for the Kinetic Energy and Exchange-Correlation Energy
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| Finite Element and Particle Methods for Fluid Problems |
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Point-implicit diffusion operator in a moving particle method (MPPM)
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Pseudospectral and Runge-Kutta-Nyström methods for second-order wave equations
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A discontinuous Galerkin method for initial value problems of Rarefied gas flows of arbitrary statistics
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MPS simulation on flow sequence of liquid particles
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| HPC and Its Applications |
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Massive System deployment with open source software, Clonezilla
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The development of peta-scale earth science observation database
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Numerical simulation of laser wake field acceleration with air medium
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| Lattice QCD |
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Probing TeV physics through lattice neutron-decay matrix elements
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Multigrid algorithms for lattice nuclear physics
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Selected lattice QCD results from Budapest, Marseille and Wuppertal
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Projection of low-lying eigenmodes in lattice QCD with domain-wall fermion
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One-Flavor Algorithms for Simulation of Lattice QCD with Domain-Wall Fermion: EOFA versus RHMC
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| Multiscale Modeling of Complex Molecular Systems |
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Multiscale Markov state modeling of Ligand-Perturbed protein dynamics
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Multiscale modeling and simulation via fluctuating hydrodynamics
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Multiscale molecular simulation of solution-processed bulk Heterojunction polymer solar cells
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| Numerical Linear Algebra and Its Applications |
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Eigendecomposition of the discrete double-curl operator with application to fast eigensolver for 3D photonic crystals
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Numerical experiences in band gap simulation of three-dimensional photonic crystals
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Novel linear algebraic theory and one-hundred-million-atom quantum material simulations on the K computer
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| Supercomputer/GPU and Algorithms |
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Multi-dimensional Range Query Processing on the GPU
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Design and implementation of fast DGEMM on GPUs
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Accelerated composite distribution function methods for computational fluid dynamics using GPU
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A GPU accelerated explicit finite-volume Euler equation solver with ghost-cell approach
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High-performance linear recurrence, and its applications
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A new non-blocking approach on GPU dynamical memory management
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An accurate implicit anti-diffusive Weno Rans solver for the simulation of Axisymmetric Scramjet flows
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