Virtual Symposium on Computational Chemistry >>


Chairperson: Prof Ponnadurai Ramasami (This email address is being protected from spambots. You need JavaScript enabled to view it.)

Computational chemistry uses computers to solve chemical problems. It applies theoretical methods implemented in software for computations. At the outset of the 21st century, computational chemistry is leading to a wide range of possibilities usually interdisciplinary. This symposium aims to gather researchers applying computational methods in chemistry and allied subjects. The topics may be related but not limited to structural, spectroscopic, kinetic and thermodynamic aspects.


Virtual Symposium on Computational Physics

Chairperson: Dr Naphtaly Moro ( This email address is being protected from spambots. You need JavaScript enabled to view it.)

Computational Physics envisages all aspects computational investigations that report on material properties obtained from first principles calculations, molecular dynamics, finite element methods, atomistic as well as multi-scale simulations. Contributions on combined experimental with any of the above mentioned methods are highly welcomed. The topics covered should be related but not limited to; magnetic, electronic and optical properties of pristine and doped/functionalized:

  • Nanomaterials
  • Transition metal dichalcogenides (TMDC)
  • Other 2D systems apart from TMDC
  • Spinels
  • Transition metal oxides

Virtual Symposium on Computational Mathematics

Chairperson: Dr Arif G├╝rsoy ( This email address is being protected from spambots. You need JavaScript enabled to view it.)

Computational mathematics involves mathematical research in areas of science where computing plays a central and essential role, emphasizing algorithms, numerical methods, and symbolic methods. Computation in the research is prominent and the goal of computational mathematics is to find or develop algorithms/methods that solve mathematical problems computationally: Numerical solutions of differential equations, inverse problems, optimization, scientific computing, approximation theory, and uncertainty quantification. Some applications include astrophysics, atmospheric science, solar cell research, ground water flow (porous media), imaging and signal processing. Computational mathematics may include but not limited to the following topics:

  • Algorithmic game theory
  • Algorithms for high performance computers
  • Approximation theory
  • Artificial Intelligence
  • Computational complexity
  • Computational geometry
  • Computational linguistics
  • Computational number theory
  • Computational topology
  • Computer simulation
  • Computer-assisted research in mathematics
  • Image processing
  • Mathematical modeling and industrial mathematics
  • Numerical linear algebra
  • Numerical methods
  • Optimization
  • Scientific computing
  • Signal processing
  • Stochastic methods
  • Symbolic computation
  • Visualization


Virtual Symposium on Molecular Dynamics

Chairperson: Dr Yee Siew Choong ( This email address is being protected from spambots. You need JavaScript enabled to view it.)

Molecular dynamics simulation predicts the physical movement of the atoms in a system where the Second Law of Thermodynamics is applied to calculate the properties of the atoms with the function of time. It is one of the popular tools in a variety of theoretical fields including the biological, chemical, physical, material and earth sciences. Suggested topics may be related but not limited to enhanced sampling methods, extended MD, ab initio MD as well as the application of MD methods.