NDLI: In-silico engineering of intrinsically conducting copolymers using particle swarm optimization algorithm

Content Provider	CSIR - National Institute of Science Communication and Policy Research (NISCPR)
Author	Bakhshi, A. K. Kukreti, S. Thakral, Priyanka Arora, Vinita
Abstract	A socio-cognitive computational algorithm, viz., particle swarm optimization (PSO) has been adopted along with negative factor counting technique and inverse iteration method (IIM) for investigating the electronic properties of a model binary copolymer, of Type I class of quasi one-dimensional polymeric superlattices. The optimal relative concentrations of the constituent components in the copolymer returned by PSO algorithm correspond to a minimum band gap composition and to one of the highly delocalized configurations. The optimal composition of the conducting copolymer obtained using PSO algorithm is found to be in good agreement with the result obtained from systematic search. An appropriate and reasonable selection of swarm size, topology and convergence parameters are found to make the algorithm diverse and efficient in terms of its exploration and exploitation abilities. Further the PSO algorithm has been found to be more effective and computationally cost efficient in comparison to genetic algorithm for designing novel conducting copolymers.
Ending Page	326
Starting Page	317
ISSN	03764710
e-ISSN	09750975
Journal	Indian Journal of Chemistry -Section A (IJC-A)
Issue Number	03
Volume Number	52A
Language	English
Publisher	CSIR-NISCAIR, India
Publisher Date	2013-03-01
Access Restriction	Open
Rights License	CC Attribution-Noncommercial-No Derivative Works 2.5 India
Subject Keyword	Copolymers Theoretical Chemistry Conducting Polymers Binary particle swarm optimization Electrically conducting polymers Electronic Property Particle Swarm Optimization
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry Physical and Theoretical Chemistry

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in