Eighth Theoretical and Computational Chemistry Workshop
Isfahan University of Technology, Isfahan, Iran
Feb 27–28, 2019

 

TCCW 2019's Workshops

 

title
by
affiliation
link
Introduction to GAMESS Software Dr. B. Bamdad
Isfahan University of technology
Download
Molecular dynamics simulation(GROMACS Software)
Dr. N. Fani
 
Isfahan University
Download

 

TCCW 2019's lectures

 

title
by
affiliation
link
2019 Book     Download
Machine Learning Methods for the Accurate Description of Non-Covalent Interactions
Prof. A. Mohajeri
Shiraz University
Download
Mapping Approach for Simulating Quantum-Classical Dynamics
Dr. A. Nassimi:
 
Sharif University of Technology
Download
Computational Approaches Applied to Rational Drug Design and Discovery
Prof. A. Bordbar
 
Isfahan University
Download
How To Identify Molecular Plasmonic? 
Dr. N. Jamshidi
CCERCI Download
Tracing the dynamics, self-diffusion, and structure of simple guest molecules inside the nanoporous Li-LSX zeolite by MD simulation
Dr. M. H. Kowsari
 
Institute for Advanced Studies in Basic Sciences
Download
Diverse sampling from structural space of proteins
Dr. M. H. Karimi Jafari
Institute of Biochemistry and Biophysics
Download
Natural Deformation Analysis
Dr. S. M. Azami
Yasouj University
Download
Highly Anisotropic Thermal Conductivity of 2D group-VA semiconductors Dr. I. Abdolhosseini  Isfahan University of Technology Download
Ab-initio estimation of magnetic exchange parameters Dr. M. Alaei Isfahan University of Technology Download
Some insights into structure search over the Born-Oppenheimer potential energy surface Dr. S. J. Hashemifar Isfahan University of Technology Download
Parallel computing in computational chemistry Dr. B. Bamdad Isfahan University of Technology Download
Mapping diffusivity of narrow channels into one-dimension Dr. M. Zarif Shahid Beheshti University Download
Theoretical and experimental study of ion/molecule reactions Dr. Y. Valadbeigi   Download
Ion mobility mass spectroscopy and physical chemistry Prof.  M. Tabrizchi Isfahan University of Technology Download
Application of CDFT in prediction of the capacitance curve and ion selective adsorption by nanopores  Prof. E. Keshavarzi Isfahan University of Technology Download
  Prof. H. Sabzyan University of Isfahan Download