TCCW 2019 Programs

 

 

Tuesday, 26 Feb
10:00-17:00
Registration
 
Wednesday, 27 Feb
8:30-9:00
Opening ceremony
9:00-9:35
Dr. E. Keshavarzi
Application of CDFT in prediction of the capacitance curve and ion selective adsorption by nanopores
9.35-10:10
Dr. S. M. Azami
Natural Deformation Analysis
10:10-10:50
Poster Presentation & Coffee Break
10:50-11:25
Dr. M. Zarif
Mapping diffusivity of narrow channels into one-dimension
11:25-12:00
Dr. A. Bordbar
Computational Approaches Applied to Rational Drug Design and Discovery
12:00-12:35
Dr. N. Jamshidi
How To Identify Molecular Plasmonic? 
12:35-14:00
Prayer & Lunch
14:00-14:35
Dr. A. Nassimi
Mapping Approach for Simulating Quantum-Classical Dynamics
14:35-15:10
Dr.  M. Tabrizchi
Ion mobility mass spectroscopy and physical chemistry
15:10-15:45
Dr. Y. Valadbeigi
Theoretical and experimental study of ion/molecule reactions
15:45-16:20 Dr. B. Bamdad Parallel computing in computational chemistry
15:20-16:55
Coffee Break
16:55-19:55
workshop 1

 Introduction to GAMESS Software

19:55-21:00
Dinner
 
Thursday, 28 Feb
8:30-9:05
Dr. H. Sabzyan  
9:05-9:40
Dr. A. Mohajeri Machine Learning Methods for the Accurate Description of Non-Covalent Interactions
9:40-10:15
Dr. M. H. Karimi Jafari Diverse sampling from structural space of proteins
10:15-10:50
Poster Presentation & Coffee Break
10:50-11:25
Dr. M. Alaei Ab-initio estimation of magnetic exchange parameters
11:25-12:00 Dr. S. J. Hashemifar Some insights into structure search over the Born-Oppenheimer potential energy surface
12:00-12:35
Dr. I. Abdolhosseini 
Highly Anisotropic Thermal Conductivity of 2D group-VA semiconductors
12:35-13:10
Dr. M. H. Kowsari
Tracing the dynamics, self-diffusion, and structure of simple guest molecules inside the nanoporous Li-LSX zeolite by MD simulation
13:10-14:30
Prayer & Lunch
14:30-17:30
workshop 2
 Molecular dynamics simulation(GROMACS Software)
19:00-20:00
Dinner