Download January 10, 2008

'International Symposium on Atomic, Molecular and Optical Sciences &
High Performance Computing: A Seamless Frontier'
January 10-12, 2008
Vedic Village, Kolkata
January 10, 2008
Inaugural Session
8.30 AM – 9.00 AM :
Inaugural address by Debashis Mukherjee
9.00 AM – 9.45 AM :
Martin Quack
Theory and Spectroscopy of Parity Violation in Chiral
Molecules
9.45 AM – 10.00 AM :
Break
Session I (Precision Spectroscopy)
Chairperson:
P N Ghosh
10.00 AM – 10.35 AM :
Deepak Mathur
Interaction of matter with light, and of light with matter
10.40 AM – 11.15 AM :
Lokesh Trivedi
Probing molecules with fast ions : recent advances
11.20 AM – 11.35 AM :
Tea
Session – II (Materials Chemistry and Physics)
Chairperson:
D D Sarma
11.35 AM – 12.10 PM :
Supriyo Datta
Quantum Transport as a Process of Successive
Entanglement and Disentanglement
12.15 PM – 12.50 PM :
Hans Agren
Multiphysics Modeling of Optical Properties:
Molecules and Nanoparticles
1.00 PM – 2.00 PM :
Lunch
Session – III (Electronic Structure A)
Chairperson:
Wesley Allen
2.00 PM – 2.35 PM :
Bhanu P Das
Atomic Tests of the Standard Model of Particle
Physics
2.40 PM – 3.15 PM :
Garnet Chan
Tensor Network Wavefunctions
3.20 PM – 3.40 PM :
Coffee
Session – IV ( Density Functional Theory : Methodologies)
Chairperson:
Wenjian Liu
3.40 PM – 4.15 PM :
Swapan Kumar Ghosh
Density Functional Theory
Scales
at
Different
Length
4.20 PM – 4.55 PM :
Martin Head-Gordon
Advances in practical density functional theory
calculations
5.00 PM – 6.00 PM
Poster Session (Chairperson: D S Ray)
6.30 PM – 7.15 PM
Evening Lecture
Werner Kutzelnigg
Rate of convergence of basis expansions in quantum
chemistry
January 11, 2008
Session – V (Condensed Matter Systems)
Chairperson:
Hans Agren
9.00 AM – 9.35 AM:
Ole K Andersen
LDA+DMFT description of the metal-insulator
transition in V2O3
9.40 AM – 10.15 AM :
S Balasubramanian
Computer Simulations of Ionic Liquids
10.15 AM – 10.30 AM :
Tea
Session – VI (Electronic Structure B)
Chairperson:
Bhanu P Das
10.40 AM – 11.15 AM :
Wesley D Allen
State-Specific
Multireference
Coupled
Cluster
Theories: Maturation into Robust Methods for General
Chemical Applications
11.20 AM – 11.55 AM :
Sourav Pal
Multi-reference coupled-cluster approach: High
performance electronic structure method for spectra
and properties
12.00 noon – 1.00 PM:
Lunch
1.30 PM – 4.30 PM: Excursion
Session – VII (Quantum Dynamics)
Chairperson:
Sourav Pal
5.00 PM – 5.35 PM:
Wenjian Liu
80 Years after Dirac: Relativity in Chemistry and
Physics Is Done
5.40 PM – 6.15 PM :
Andy Simmonett
Ab Initio Characterization of the Newly Synthesized
Hydroxymethylene Molecule
6.20 PM – 6.30 PM:
Tea
6.30 PM – 7.30 PM :
Poster Session (Chairperson: D S Ray)
7.30 PM onwards Cultural Show and Banquet
January 12, 2008
Session – VIII (Materials Chemistry and Physics)
Chairperson:
G P Das
9.00 AM – 9.35 AM :
Rajiv K Kalia
Atomistic Mechanisms of Deformation, Fracture and
Nanoductility in Silica Glass
9.40 AM – 10.15 AM:
Krishnan Raghavachari
Electronic Structure Studies of Materials Chemistry
using Novel Embedded Cluster Models
10.20 AM – 10.55 AM :
Indra Das Gupta
Magnetism in low dimensional oxides: A perspective
from first principle calculations
11.00 AM – 11.10 AM:
Tea
Session – IX (Electronic Structure B)
Chairperson:
Werner Kutzelnigg
11.10 AM – 11.45 AM :
Seiichiro Ten-No
Explicitly correlated Slater-type geminal theory
11.50 AM – 12.25 PM:
Jozef Noga
R12/F12 based theories within and beyond the
standard approximation. An analysis and some
numbers
12.30 PM – 1.05 PM:
Wim Klopper
Many-body perturbation theory and coupled-cluster
methods with Slater-type geminals
1.10 PM – 2.10 PM: Lunch
Session – X (Electronic Structure B)
Chairperson:
S P Bhattacharyya
2.15 – 2.50 PM:
Franceso Evangelista
Triple excitations in state-specific multireference
coupled cluster theory
2.55 – 3.30 PM:
Michael Hanrath
Recent advances in the MRexpT approach
3.30 PM – 3.45 PM: Tea
Session – XI (Electronic Structure B)
Chairperson:
P K Mukherjee
3.45 PM – 4.20 PM:
Dimitri Batani
Generation and transport of relativistic electrons in
ultra-high-intensity laser-matter interaction
4.25 PM – 5.00 PM:
Horst Koeppel
Multiple conical intersections and multi-state
nonadiabatic dynamics in benzenoid cations
5.05 PM – 5.20 PM : Tea
5.20 PM – 6 PM: Valedictory Session
7.00 PM Dinner