Venues: All talks to be held at the Computational Science Seminal Room, Blk SOC1, #07-41, Faculty of Science
Please contact the co-ordinator for further details.
| Date | Time | Speaker | Topic |
|---|---|---|---|
| 11 December 2000 | 4:00pm | Prof S. Narayanan
Dean of Academic Research Indian Institute of Technology, Madras, India |
Numerical Analytical Methods for Non-linear Dynamical System Analysis |
| 7 December 2000 | 4:00pm | Prof. Jia Zhongxiao
Department of Applied Mathematics Dalian University of Technology, P.R. China, and Department of Mathematical Sciences Tsinghua University, P. R. China |
Implicitly Restarting the refined Arnoldi method and the refined harmonic Arnoldi method |
| 23 November 2000 | 4:00pm | Professor Bernd A Berg
Department of Physics Florida State University, USA |
MULTICANONICAL SIMULATIONS |
| 16 November 2000 | 4:00pm | Dr. Wenyu Sun
Department of Mathematics, University of Brasilia Brasilia, DF, 70910-900, Brazil and Department of Computational Mathematics and Optimization Nanjing Normal University, China |
Conic Trust Region Method to Solve Optimization |
| 19 October 2000 | 4:00pm | Prof. Koji Ohkitani
Research Institute for Mathematica Sciences Kyoto University, Kyoto 606-8502 Japan |
Numerical study of singularity formation
in a class of Euler and Navier-Stokes flows |
| 5 October 2000 | 4:00pm | Prof. Daiqian Xie
School of Chemistry Sichuan University, China |
Photodissociation Dynamics of Methyl Iodide |
| 20 September 2000 | 4:00pm | Prof. Nhan Phan-Thien
Department of Mechanical Engineering NUS |
BEM Modelling of Stokes Flows Problems |
| 14 September 2000 | 4:00pm | Dr. Gunaretnam Rajagopal
TCM Group, Cavendish Laboratory University of Cambridge, UK |
Quantum Monte Carlo Simulations: From atoms to Solids |
| 7 September 2000 | 4:00pm | Prof. Maya Paczuski
Department of Mathematics Imperial College, UK |
A network model of competition in markets |
| 29 August 2000 | 4:00pm | Prof. Tuck Chuen Choy
School of Physics University of Melbourne, Australia |
Van der Waals interaction for the hydrogen molecule: An exact density functional approach |
| 3 August 2000 | 4:00pm | Prof. C. Jayaprakash
Department of Physics Ohio State University, USA |
Synchronization in Various Oscillator Systems |
| 13 July 2000 | 4:00pm | Dr Bao Weizhu
School of Mathematics Georgia Institute of Technology, USA |
The random projection method for hyperbolic conservation laws with stiff source terms |
| 4 July 2000 | 4:00pm | Dr Venkatraman Mohan
Assistant Director, Ibis Therapeutics ISIS Pharmaceuticals, USA |
Targeting RNA : Rational and Combinatorial Drug Design Approaches |
| 13 June 2000 | 3:00pm | Prof. Ping Sheng
Department of Physics Hong Kong University of Science & Technology |
Photonic Crystals Formation and Bandgaps from Metallo-Dielectric Microspheres |
| 6 June 2000 | 4:00pm | Prof. Huang Wenzhang
Department of Mathematics University of Alabama in Huntsville, USA |
Time delayed differential equations and singular perturbation problem arising from application |
| 29 May 2000 | 4:00pm | Dr. Yeung Man-chung
Department of Mathematics University of California |
Applications of Multiple Lanczos Method: ML(k)BiCGSTAB and Transpose-free Matrix Pade |
| 19 May 2000 | 4:00pm | Prof. Jiang Yuan-Sheng
Department of Chemistry Nanjing University, China |
Valence Bond Calculations of Medium-sized Conjugated Molecules |
| 27 April 2000 | 4:00pm | Prof. Leslie V. Woodcock
Department of Computational Science NUS |
Mesoscale modelling: predicting new processes for materials made from powders |
| 24 April 2000 | 4:00pm | Prof. Hiroshi Sugiyama
Institute for Biomaterials and Bioengineering Tokyo Medical and Dental University Japan |
Rational Design of Sequence-Specific DNA Alkylating Agents |
| 20 April 2000 | 4:00pm | Prof. K.L. Teo
Department of Applied Mathematics The Hong Kong Polytechnic University |
The Control Parametrization Enhancing Approach to Constrained Optimal Control Problems |
| 13 April 2000 | 4:00pm | Dr. Faming Liang
Department of Statistics and Applied Probability NUS |
Dynamic Weighting in Simulation and Optimization |
| 22 Feb 2000 | 4:00pm | Dr. Michael A. Collins
Research School of Chemistry Australian National University |
Molecular Potential Energy Surfaces For Chemical Dynamics |
| 17 Feb 2000 | 4:00pm | Prof. Chi-Wang Shu
Division of Applied Mathematics Brown University Providence, Rhode Island, USA |
Weighted Essentially Non-Oscillatory Schemes for Hyperbolic Problems |
| 15 Feb 2000 | 4:00pm | Prof. Huang Wenzhao
Department of Mathematical Finance Beijing University, China |
Empirical study of nonlinear Dynamical behaviour of stock market (in China) |
| 3 Feb 2000 | 4:00pm | Prof. J. G. Muga
Department of Physics Bilbao University, Spain |
Complex Potentials in Scattering Calculations |
| 27 Jan 2000 | 4:00pm | Prof. K.N.Seetharamu
School of Mechanical Engineering University Science Malaysia Malaysia |
Finite Element Analysis in Engineering Applications |
| 20 Jan 2000 | 4:00pm | Dr Mette Machholm
Dept of Chemistry Aarbus University |
Atoms and Molecules in laser fields |
| 6 Jan 2000 | 4:00pm | J. N. Reddy
Oscar S. Wyatt Chair Professor Dept of Mech. Engineering Texas A&M University |
The Penalty Function Method in the Numerical Simulations of Viscous Incompressible Fluids and Shear Deformable Plates |
Parametric continuation, embedding or homotopy methods have long served as useful tools in mathematics. A number of papers exist in the l iterature with different applications of the continuation or homotopy procedures. In the latter half of the nineties investigations, related to the application of path following in non-linear dynamical systems, began to appear. These techniques, based either on shooting methods or the harmonic balance method, are primarily meant for periodically excited non-linear systems.
A review of the current state-of-the-art will be presented with regard to parametric continuation or path following methods for the analysis of non-linear dynamical systems. Various techniques available for path following as well as algorithms for step size variation will be discussed. The efficiency of these techniques, in identifying parameter regimes where sub-harmonic, quasi-periodic or chaotic solutions can exist, will be demonstrated. This will be done using three different examples, (a). Flutter of an airfoil section, (b). Duffing oscillator, and (c). Impact oscillator. Potential application of this technique to larger mechanical systems and some of the issues associated with this will also be addressed.
7th December 2000, Prof. Jia Zhongxiao
Implicitly Restarting the refined Arnoldi method and
the refined harmonic Arnoldi method
Large scale matrix eigenproblems arise in a lot of applied sciences and
engineering. We are frequently required to compute a small number of
selected eigenvalues and/or associated eigenvectors. Efficient and
reliable numerical solvers play a key role in scientific applications.
The Arnoldi method and it harmonic version have been two major methods
for solving the mentioned problem over the past two decades. However,
it has been shown that although approximate eigenvalues may converge
under some necessary conditions, approximate eigenvectors, on the other
refined harmonic Arnoldi method, in which the approximate eigenvectors
are obtained from a given projection subspace using a completely
different approach. Then new methods have been shown to overcome the
possible nonconvergence of their original counterparts. To make all the
four methods succeed in practice, restart is necessary due to the
limitation of storage and computational cost. Implicit restart proprosed
by Sorensen has appeared to be a most successful restarting technique.
Applying this technique to the four methods, we get corresponding
implicitly restarted algorithms. The key for overall efficiency of
algorithms is the suitable selection of certain shifts involved. In
contrast to those so called exact shifts used in the original
algorithms, we propose refined shifts for use within the implicitly
restarted refined algorithms. Numerical experiments have been conducted
on some real world problems using the four algorithms. They indicate that
our refined algorithms ourperform the original counterparts considerably.
23rd November 2000, Professor Bernd A Berg
MULTICANONICAL SIMULATIONS
Multicanonical and related simulations consist of two parts.
First, suitable weight factors for the problem at hand are
identified and calculated. Second, (large scale) equilibrium
Monte Carlo simulation with the final (fixed) weight factors
are applied to the problem at hand.
calculating the weights appears to be a stumbling block for
newcomers to the method. The talk will discuss various approaches
and present a computer animation for a robust, recursive
algorithm. Subsequently, a few selected applications are
summarized: (1) First order phase transitions. (2) Multi-overlap
spin glass simulations. (3) Simulations of small proteins
(peptides), including alpha helix formation of poly-alanine.
16th November 2000, Dr. Wenyu Sun
Conic Trust Region Method to Solve Optimization
Trust region methods for conic models to solve unconstrained
and constrained
optimization problems are proposed. We analyze the trust region approach for
conic models and present necessary and sufficient conditions for the solution
of the associated trust region subproblems. A corresponding numerical
algorithm is
developed and has been tested for 19 standard test functions in unconstrained
optimization. The numerical results show that this kind of methods is superior
to some advanced methods. We also prove that the proposed methods have global
convergence and Q-superlinear convergence properties.
19th October 2000, Prof. Koji Ohkitani
Numerical study of singularity formation
in a class of Euler and Navier-Stokes flows
We study numerically a class of stretched solutions of the
three-dimensional Euler and Navier-Stokes equations identified
by Gibbon, Fokas and Doering (1999). Pseudo-spectral computations
of an Euler flow starting from a simple smooth initial condition
suggests a breakdown in finite time. Moreover, this singularity
apparently persists in the Navier-Stokes case. Independent evidence
for the existence of a singularity is given by a Taylor series
expansion in time. The mechanism underlying the formation of this
singularity is the two-dimensionalization of the vorticity vector
under strong compression; that is, the intensification of the
azimuthal components associated with the diminishing of the axial
component. It is suggested that the hollowing of the vortex
accompanying this phenomenon may have some relevance to studies
in vortex breakdown.
This is a joint work with John D. Gibbon (Imperial College).
5th October 2000, Prof. Daiqian Xie
Photodissociation Dynamics of Methyl Iodide
We present three-dimensional quantum mechanical calculations on
the photodissociation dynamics of CH3I and CD3I on new ab initio
potential energy surfaces. The wave packet is propagated in the
Chebyshev order domain. The absorption spectra, product rotational
and vibrational distributions, I* quantum yield are calculated and
compared with experiments. It is shown that the overall rotation
has significant effects on the methyl rotational and vibrational
distributions as well as the I* yield.
20th September 2000, Prof. Nhan Phan-Thien
BEM Modelling of Stokes Flows Problems
"Suspensions" is a generic term describing multiphase fluids,
made up of particles and/or bubbles suspended in a fluid or a
solid phase (the solvent or the matrix). They are found in a
variety of natural and man-made materials: blood, paint, slurries,
mineral concentrates, mine tailings, clay, cement, bitumen, bread
dough, etc. The concept of suspension is of course only meaningful
when there are two widely different length scales in the problem:
l is a typical dimension of a suspended particle and L is a typical
size of the apparatus. When these two length scales differ by several
orders of magnitude, l << L, one speaks of a suspension rather than
a collection of discrete individual particles suspended in a medium,
which could be a solid or a fluid. When viewed at level l, one sees
a great deal of fluctuations, and when viewed at level L, one sees
a continuum of some effective properties. The term micromechanics
refers to the detailed solutions at the micro level, and the process
of averaging out the fluctuations at the microscale level to arrive
at the description at the continuum level is termed homogenisation.
The task of linking the micromechanics to the macro description (or
finding the constitutive equation) of the material is the central
problem in Mechanics. Some of the computational techniques for
modelling suspensions will be discussed in this talk, together with
the results obtained for them. They include the Completed Double Layer
Boundary Method, the direct simulation techniques, and the Brownian
Configuration Field methods. Some of these are ideal candidates for
parallelisation in a distributed environment.
14th September 2000, Dr. Gunaretnam Rajagopal
Quantum Monte Carlo Simulations: From atoms to Solids
This seminar describes the variational and fixed-node diffusion
quantum Monte Carlo methods and how they may be used to calculate
the properties of many-electron systems. These stochastic
wave-function-based approaches provide a very direct treatment
of quantum many-body effects and serve as benchmarks against
which other techniques may be compared. The algorithms are
intrinsically parallel and currently available high performance
computers allow applications to large systems. With these tools
one can study complicated problems such as the properties of
solids and defects, while including electron correlation effects
with high precision. A selection of applications to ground and
excited states of atoms, molecules, clusters and solids will be
discussed.
7th September 2000, Prof. Maya Paczuski
A network model of competition in markets
We present a simple model of agents competing in a market where
each agent bases his action on information obtained from a small
group of other agents. The agents play a competitive game that
rewards those in the minority, penalizing those in the majority.
Agents that perform poorly change their strategy. The strategies
in the market coevolve, and exhibit a "Red-Queen" effect where
previously successful strategies eventually fail. The network
self-organizes to a stationary but intermittent state where
random mutation of the worst strategy can change the behavior
of the entire network, often causing a switch in the dynamics
between attractors of vastly different lengths.
(Paczuski, Bassler, Corral. Phys. Rev. Lett. (2000).)
29th August 2000, Prof. Tuck Chuen Choy
Van der Waals interaction for the hydrogen molecule:
An exact density functional approach
Van der Waals forces are universal to ALL atomic systems and for closed
shell atoms, represent the only mechanism for molecular binding. While
its general theory can be explained in terms of electrodynamics, a proper
quantitative calculation is only available after the advent of quantum
mechanics. Its formal theory was first constructed by Fritz London in
1931. In this talk I shall review the EXACT calculation of the van der
Waals interaction for the hydrogen molecule, probably the first
non-trivial manybody problem to be solved analytically in quantum
chemistry. Unfortunately there were numerous errors and confusion of the
theoretical methods used by the pioneers such as London, Pauling, Slater,
Kirkwood and later Lowdin, Hirshfelder and others. The famous book of
Pauling and Wilson stands to be corrected in detail on this topic as will
be shown. The advancement of local density functional (LDA) theory due to
Kohn and Sham has led to some unresolved difficulties in the treatment of
van der Waals forces within LDA. Thus the exactly solvable hydrogen system
provides an important test bed for density functional approaches. I shall
demonstrate that there is a density functional theory for this system that
is exact and thereby partially answering some early objections to the
Hohenberg-Kohn density functional theory first raised by Elliott Lieb in
the 80's.
3rd August 2000, Prof. C. Jayaprakash
Synchronization in Various Oscillator Systems
Experimental results on synchronous neural activity in
the brain has generated theoretical work in understanding
synchronization in networks of neural oscillators. I will
(i) present results for the Integrate-and-Fire Oscillator
system showing how it can be arranged to synchronize quickly
and (ii) discuss relaxation oscillators with excitatory
connections and conduction delays and propose a mechanism
for achieving near-zero phase-lag synchrony. I will begin
with a general introduction, present the models and results,
and conclude with some open questions.
13th July 2000, Dr Bao Weizhu
The random projection method for hyperbolic conservation laws
with stiff source terms
In this talk we present the random projection method for numerical
simulations of hyperbolic conservation laws with stiff source terms
arising from chemically reactive flows:
U_t + F(U)_x + G(U)_y = 1/e P(U)
In this problem, the chemical time scales may be orders of magnitude faster than the fluid dynamical time scales, making the problem numerically stiff. A classic spurious numerical phenomenon, the incorrect propagation speeds of discontinuities, occurs in underresolved numerical solutions. We introduce a random projection method for reaction term by replacing the ignition temperature with a uniformly distributed random variable. The statistical average of this method corrects the spurious shock speed, as will be proved with a scalar model problem and demonstrated by a wide range of numerical examples in inviscid denotation waves in both one and two space dimensions.
4th July 2000, Dr Venkatraman Mohan
Targeting RNA : Rational and Combinatorial
Drug Design Approaches
Designing drugs that target RNA is a novel and attractive concept in
sharp contrast to the traditional way of targeting proteins. The antisense
concept of drug discovery is based on the inhibition of gene expression at
the message level. Sequence-specific binding of oligonucleotides to an
RNA targets is achieved by exploiting Watson-Crick base pairing rules.
The first drug based on antisense technology for CMV was approved by FDA
in 1998. An overview of the basic concepts and computational chemistry
applications is this research area will be presented. The complex 3D
folds of RNA represent specific targets for small molecule drug
recognition. Structures of protein-RNA complexes based on X-ray as well
as NMR techniques have been published recently. Given the 3D structure of
target RNA, we have developed protocols to successfully identify best
possible structures of ligand-receptor complex based on exhaustive
onformational search of flexible ligands. An overview of the integrated
drug discovery paradigm based on combinatorial chemistry approach and the
role of computational chemistry will be discussed.
13th June 2000, Prof. Ping Sheng
Photonic Crystals Formation and Bandgaps from Metallo-Dielectric
Microspheres
We have fabricated multiply-coated microspheres with diameters ranging
from submicron to 50 microns. The coated microspheres exhibit significant
response to externally applied electric (E) and/or magnetic (H) fields.
Under crossed E and H fields, a Martensitic transformation was observed
when the H/E ratio exceeds a minimum value. The structural transformation,
from the body-centered-tetragonal arrangement of the coated microspheres
under just the electric field, to the face-centered-cubic arrangement when
a perpendicular magnetic field was applied, is quantitatively predicted
by the minimization of combined electrostatic and magne tostatic free energy
densities.
When assembled together, these mesocrystals formed by coated microspheres also have novel optical properties. In particular, they form viable building blocks for photonic band gap materials. We have shown by explicit calculations that any periodic structure built from the coated microspheres possesses photonic bandgap. The calculations are based on the multiple scattering technique. We consider a generic system where the building blocks are touching metallo-dielectric spheres, where the metal dielectric is modelled by a large and negative constant. We show in the figure below the frequency (marked by the squares) and the size (marked by the bars) of the photonic gaps for a variety of structures. The angular frequency in the figure is scaled by the diameter of the spheres. We found that an absolute photonic gap always emerges for such a system when the volume filling ratio of the metallic spheres exceeds a threshold, and the size of the gap increases monotonically as a function of the filling ratio. A potentially distinct feature of the present system is that the photonic gap depends on the filling ratio and the short-range order rather than on symmetry and long-range order, as in the case of dielectric photonic crystals.
To verify the theoretical predictions, we have constructed photonic crystal slabs in the simple cubic and face-centered-cubic symmetries and measured the transmittance in the microwave regime along two distinct crystal orientations. Measured results are in good agreement with theory, demonstrating the existence of photonic bandgaps in the system formed by metallo-dielectric spheres.
6th June 2000, Prof. Huang Wenzhang
Time delayed differential equations and singular perturbation problem
arising from application
In this talk we will give a derivation of delay-differential equations
from some physical models (such as models of the transmission line in an
electrical circuit and the optical transmission of a cavity filled with
a nonlinear medium) where the time delayed feed back can be clearly identified.
In addition we will use the singular perturbation method to study the existence
and stability of an important type of solutions, the square wave periodic
solution, when the delay-differential equations exhibit a multiple-time-scale
phenomenon.
29th May 2000, Dr. Yeung Man-chung
Applications of Multiple Lanczos Method: ML(k)BiCGSTAB and Transpose-free
Matrix Pade
A Lanczos procedure for multiple starting vectors was recently developed.
It is a natural generalization of the classical one. This talk is about
two applications of the multiple Lanczos procedure:
Multi-input multi-output dynamical systems are usually characterized by transfer functions of the form H(s) = L'*F(s)*R, where F(s) is the inverse of the function matrix I - s*A. Matrix Pade method via multiple Lanczos procedure (MPVL) computes the partial sums of the Taylor expansion of H(s). TFMPVL is mathematically equivalent to MPVL, but avoids the use of the transpose of the system matrix A, and under certain circumstances will actually reduce the total number of matrix-vector products needed. The method is illustrated with some numerical examples.
19th May 2000, Prof. Jiang Yuan-Sheng
Valence Bond Calculations of Medium-sized Conjugated Molecules
An algorithm for coding the Slater determinants is proposed for CVB
calculations. It extends the VB calculations up to benzenoids of 28 Pi-electrons
having 40 million configurations. Results of 89 species are given which
are used to rationalize the trend of aromaticity of benzenoid hydrocarbons.
27th April 2000, Prof. Leslie V. Woodcock
Mesoscale modelling: predicting new processes for materials made
from powders
Many modern synthetic materials, e.g. ceramics, composites, pharmaceuticals,
flame retardants, high temperature superconductors, cracking catalysts
etc. are manufactured from binary powders that do not like to mix, yet
where homogeneity is paramount.
The study of idealised powders and steady-state processes by mesoscale modelling, yields information about the conditions whereupon powders can behave like molecular liquids. When fluidised under certain conditions of external vibrations the particles obey the equipartition of energy. These conditions are predictable from mesoscale simulations.
This leads to a definition of "thermodynamic" properties of powders, as a function of granular "temperature" and granular "pressure" and consequently the prediction of conditions for mixing dissimilar powders homogeneously; some that are impossible to mix by any other means (on Earth) due to severe gravity induced size segregation effects.
The computations have resulted in the prediction and discovery of a phase behaviour of binary powders using accoustic vibrations which will be shown on a 5-min. video.
Novel steady-state processes for characterising the solidification process are being researched computationally. All ceramic and composite solid materials are non-equilibrium. They can only have uniquely defined and reproducible properties (like fluids) if they can be produced homogeneously and continuously and then characterised by process parameters, i.e. by rate constant that defines the continuous (steady-state) production process.
New, idealised, processes are being researched computationally to produce continuously and homogeneously dense states from dilute states by uniaxial compactions. The real batch processes to which the continuous process relates are sedimentation, filtration, slip casting or centrifugation. A program is also being developed for epitaxial deposition.
It is believed that the simulations will pave the way to the design of new continuous processes that will produce truly homogeneous and well-characterised advanced solid materials.
20th April 2000, Prof. Hiroshi Sugiyama
Rational Design of Sequence-Specific DNA Alkylating Agents
By the completion of the human genome project, many diseases including
cancer, hereditary and viral diseases can be understood by the DNA sequence
level. Control of the specific gene expression will provide ultimate gene
therapy. Minor groove binding polyamides containing N-methylpyrrole and
N-methylimidazole amino acids exhibit promising performance based on the
recognition of nucleic acid sequences. Various types of sequence-specific
DNA binding agents are developed and used for the regulation of gene expression.
We synthesized novel type of polyamide-alkylator conjugates based on the
reactivity of natural products. These synthetic compounds alkylated predetermined
DNA sequences selectively, and also some of them possessed selective potency
for certain cancer cell lines. In this presentation, we will focus on recent
progress of minor groove binding polyamides that play important roles in
the rational recognition of nucleic acid sequences. One of the future directions
of rational design of molecular medicine in the post genome era is proposed.
20th April 2000, Prof. K.L. Teo
The Control Parametrization Enhancing Approach to Constrained Optimal
Control Problems
In this talk, I shall begin with the review of the classical control
parametrization approach to standard constrained optimal control problems.
The control parametrization technique is then used in conjunction with
the recently developed control enhancing transform to 2 unconventional
optimal control problems: (i) optimal control problems in which certain
time points are decision variables to be optimized; and (ii) optimal control
problems in which the sizes and the locations of the state jumps are decision
variables to be optimized.
13th April 2000, Dr. Faming Liang
Dynamic Weighting in Simulation and Optimization
Dynamic importance weighting is proposed as a Monte Carlo method that
has the capability to sample relevant parts of the configuration space
even in the presence of many steep energy minima. The method relies on
an additional dynamic variable (the importance weight) to help the system
overcome steep barriers. A non-Metropolis theory is developed for the construction
of such weighted samplers. Algorithms based on this method are designed
for simulation and global optimization tasks arising from multimodal sampling,
spin-glasses simulation, neural network training, and the traveling salesman
problem. Numerical tests on these problems confirm the effectiveness of
the method.
22nd February 2000, Dr. Michael A. Collins
Molecular Potential Energy Surfaces For Chemical Dynamics
The theoretical study of chemical reactions from fundamental principles
has had to surmount two principal difficulties, the accurate quantum dynamics
of the atomic nuclei on the molecular potential energy surface (PES), and
the evaluation of the PES itself.
Ab initio quantum chemistry calculations can now provide accurate values of the potential energy at almost any given molecular geometry. This lecture will describe a method which automates the construction of multi-dimensional PES by interpolation of ab initio calculations. We show how a Bayesian analysis of the interpolation errors can be used to enhance the accuracy and "automated learning" character of the approach.
17th February 2000, Prof. Chi-Wang Shu
Weighted Essentially Non-Oscillatory Schemes for Hyperbolic Problems
We will present the basic ideas and recent development in the construction,
analysis, and application of high order WENO (Weighted Essentially Non-Oscillatory)
finite difference and finite volume schemes for solving hyperbolic conservation
laws. WENO schemes are high order accurate finite difference or finite
volume schemes designed for problems with piecewise smooth solutions containing
discontinuities. The key idea lies at the approximation level, where a
nonlinear adaptive procedure is used to automatically give more weights
to the locally smoother stencils, hence avoiding crossing discontinuities
in the interpolation procedure as much as possible. WENO schemes have been
quite successful in computational fluid dynamics and other applications,
especially for problems containing both shocks and complicated smooth solution
structures, such as compressible turbulence simulations and aeroacoustics.
Numerical examples will be shown to illustrate the capabilities of the
methods.
15th February 2000, Prof. Huang Wenzhao
Empirical study of nonlinear Dynamical behaviour of stock market
(in China)
The crash of stock price during the Asian crisis shaked the premise
of the classic economy theory. The magnitude of stock price falling and
the depth and width of its influence showed its nonlinearity.
The structure of limit set and some properties of strange attractors for general dynamic system have been studied. We exploited the fractional dimension of the strange attractor, Lyapunov exponents and entropy of the stock market in Shanghai, Shenzeng, Hong Kong Market. These quantities provide useful information of the market from different points of views and strong evidences on the nonlinear dynamical bahaviour of the market.
3rd February 2000, Prof. J. G. Muga
Complex Potentials in Scattering Calculations
The talk begins with an introduction to the use of complex potentials
in scattering calculations. Different functional forms are compared, with
particular attention to the ones proposed recently in La Laguna, which
use the interference between multiple collisions in composite complex potential
barriers to enhance the absorption significantly. An example of application
is discussed (collinear H+H_2).
27th January 2000, Prof. K.N.Seetharamu
Finite Element Analysis in Engineering Applications
A brief introduction to the nature of finite element method (FEM) is
given. Application of FEM to the systems governed by differential equations
are illustrated through industrial examples such as heat exchangers, gas
turbine blade cooling, cooling of electronic packages etc.
20th January 2000, Dr Mette Machholm
Atoms and Molecules in laser fields
This talk consists of two parts: 1) Controlling photochemical reactions
by laser induced nuclear wave packet dynamics; 2) Collisions between laser
cooled alkaline earth atoms in a weak laser field.
The invention of femtosecond lasers has enabled experimental studies of how atoms in a molecule move during a chemical reaction, with the time scale of the atom's movements typically 10-100 fs. Probing the "transition state" (the intermediate structure of the molecule) became experimental reality and more than a theoretical concept. In parallel, theoretical concepts have been developed, where photochemical reactions are controlled providing selectivity in population of competing channels. The time-dependent models use the wave packet concept.
I will introduce the basic concepts of controlling photochemical reactions by lasers, and present a theoretical model for a control scheme. In this scheme the spatial distribution of photofragments is controlled by first forcing the dynamics of the nuclear wave packet in the ground state potential well, creating a "classical" oscillatory motion. Secondly, only molecules of a selected orientation are dissociated, when these molecules have their bond stretched.
Laser cooling of atoms is a very successful research field, which has lead to many spectacular results. The cooling of samples of atoms to micro Kelvin temperatures by lasers has many applications, e.g. increasing the precision of atomic clocks, or the construction of "atom lasers". It is also a precondition for the further cooling to create Bose-Einstein-Condensates.
I will introduce the basic principles of laser cooling, and trapping of laser cooled atoms. Collisions heat the sample of trapped atoms, and are the limiting processes for the number of atoms, which can be trapped, and the temperatures, which can be reached. During these collisions quasi-molecules, which can be 1000 =C5 large, are formed. Alkali-metal atoms have been widely studied experimentally and theoretically, recently also alkaline-earth atoms have been laser cooled. The latter have the advantage that only a few quasi-molecular states are present, where the alkali-metal atoms have hundreds of states due to hyperfine structure. I will present the first theoretical studies of collisions between laser cooled alkaline earth atoms.
6th January 2000, J. N. Reddy
The Penalty Function Method in the Numerical Simulations of Viscous
Incompressible Fluids and Shear Deformable Plates
The penalty function method is an approximate method to reduce a constrained
problem to an unconstrained problem. In contrast to the classical Lagrange
multiplier method, the penalty function method does not introduce additional
dependent unknowns - Lagrange multipliers. The application of the method
to the treatment of the incompressibility constraint in the numerical simulation
of viscous incompressible fluids by the finite element method will be discussed.
In addition, application of the method to the classical plate theory to obtain the first-order shear deformation plate heory will also be discussed.
He has been elected as the Fellow of the National Academy of Engineering, Fellow of the Aeronautical Society of India and the Fellow of the Acoustical Society of India.
Prof. Jia Zhongxiao
Jia Zhongxiao, Professor at Department of Applied Mathematics,
Dalian University of Technology, China, Concurrent Professor at
Department of Mathematical Sciences, Tsinghua University, China.
His major research interests are numerical linear algebra, large
scale matrix computations and scientifc computing. He was awarded
the Leslie Fox Prize in Numerical Analysis in 1993 for his significant
contributions to large scale unsymmetric matrix eigenproblems.
He has given the invited presentations at important
international conferences in various countries. In 1998, he
organized and chaired an International Symposium on Large Scale Matrix
Computations in Dalian, which attracted most internationally renowned
experts in the field. He has given a general analysis for commonly used
projection methods for solving eigenproblems and has shown possible
nonconvergence of approximate eigenvectors. To correct this problem, he
has proposed a class of refined projection methods, which have been
accepted to be one of three classses of projection methods. He has
given some elegant and computationally viable refined algorithms,
which can often be much more efficient than their conventional
counterparts. The celebrated G.W. Stewart's book "Matrix Algorithms:
Vol.II, Eigensystems" and Van der Vorst's book "Computational Methods
for Large Eigenvalue Problems" have cited and described many theoretical
results and algorithms of Jia's works. Jia has got some other awards
and honors, such as "ISI Classic Citation Award" and one of the
fifty-seven outstanding young scientists (under 45) in China.
Professor Bernd A Berg
Prof Bernd Berg obtained his Diplom in Physics from Freie
Universitaet Berlin in 1974, and PhD in 1977 in the same University.
He got his Habilitation and Privatdozent for Physics from
University of Hamburg in 1980. After few junior positions in
Germany, he settled down in Florida State University since
1985. His research interests include theoretical high energy
physics, lattice gauge theory, quantum field theory and quantum
measurement, complex systems and statistical physics,
Monte Carlo algorithms, statistical analysis of Monte Carlo and
real data. He is very well-known for the multi-canonical
Monte Carlo method.
Prof Bernd Berg is visiting NUS 22-24 November 2000, hosted A/Prof Wang Jian-Sheng.
Prof. Koji Ohkitani
Doctor of Science in Physics (Kyoto University, March 1989)
Postdoctoral fellowships of the Japan Society for the Promotion
of Science for Japanese Junior Scientists.
April 1, 1989-June 30, 1990
Research Associates
Research Institute for Mathematical Sciences, Kyoto University.
July 1, 1990-March 31, 1994
Associate Professor
Division of Mathematical and Information Sciences,
Faculty of Integrated Arts and Sciences,
Hiroshima University.
April 1, 1994-September 30, 1996
Associate Professor
Research Institute for Mathematical Sciences,
Kyoto University.
Octobetr 1996-.
Prof. Nhan Phan-Thien
Professor Nhan Phan-Thien was awarded the Edgeworth David Medal
in 1982 (awarded by the Royal Society of New South Wales to a Scientist
under 35) for distinguished research in Applied Mechanics. He was awarded
the ASR Medal in 1997 by the Australian Society of Rheology, for
distinguished contributions to Rheology. He won the prestigious Gordon
Bell Award in the Price/Performance category at the Supercomputing
Conference at San Jos, 1997, given by the IEEE Computing Division, for
superior effort in practical parallel processing techniques. His research
interest is in the general area of viscoelastic fluid mechanics,
suspensions, and computational methods dealing with non-Newtonian fluid
flows. He has written over 260 refereed journals papers, including two
books by Elsevier and Oxford University Press, and is on the Editorial
Board of 6 journals, including three computational journals. He was
elected to the Australian Academy of Science in 1999.
Prof. Jiang Yuan-Sheng
Professor Jiang Yuan-Sheng is one of the leading theoretical chemists
in China. He received his MSc degree from Jilin University with Professor
Tang Ao-Qing, and is one the eight most influential students of Professor
Tang. Professor Jiang is among the first batch scholars who were promoted
to full professorship soon after the reform began. In 1991, he was elected
as a member of Chinese Academy of Science for his outstanding working in
theoretical chemistry. Professor Jiang received numerous awards, including
the two most prestigious awards in China: 1st Class National Science Prize
(1982, 1987), and one 1st Class Science and Technology Progress Awards
(1999).
Prof. K.N.Seetharamu
Professor Seeetharamu received his B.E. from University of Mysore in
1960 and M.E. from Indian Institute of Science, Bangalore, India in 1962.
He later obtained his Ph.D in the area of Heat Transfer from IIT, Madras,
India. Professor Rohsenow, a world-renowned authority from MIT had commended
his thesis as one of the BEST THESIS and mentioned, it was a pleasure to
go through the thesis.
During his distinguished professional career spanning over 30 years at IIT, Madras, Prof. Seetharamu published more than two hundred research articles, including 75 journal papers and 140 national and international conference papers. He has co-authored one book on Finite Element Methods in Heat Transfer Analysis published by John Wiley in 1996. Prof.Seetharamu has so far guided 24 students for Ph.D and 15 for M.S. (by research) degrees. He has been a regular visiting Scientist at University college of Swansea, a pioneering institute in Finite Element Methods. He has been on the editorial boards of several journals and had been one of the chief editors for the International Journal for Engineering Analysis and Design. Prof.Seetharamu has handled several national and international sponsored research and consultancy projects on the modeling of various industrial applications.
Professor Seetharamu joined the School of Mechanical Engineering, University Science Malaysia by invitation and is actively engaged in the research area related to Electronic Packaging. The poster paper presented at the International Conference on Electronic Packaging held in December 1997 at San Diego, USA, was awarded the Best Paper Prize. The University of Science Malaysia awarded prize for the best research carried out during 1997. He is currently the Secretary of IMAPS, Malaysia Chapter.
Prof. J. G. Muga
Dr Muga got his PhD in Bilbao (Spain) in 1984. He did postdoctoral
work with I. Prigogine (Brussels), R. D. Levine (Jerusalem) and R. Snider
(Vancouver). In 1990 got a permanent position in the Physics Dept. of La
Laguna University and has recently moved back to Bilbao as research full
professor. His main current interest is in Foundations of Quantum Mechanics,
in particular in the theoretical treatment of time. Ha has published 80
papers. The most recent may be found in quant-ph. A Phys. Rep. on the arrival
time will appear soon.