Centre for Informatics : Centers & Institutes : Shiv Nadar University
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Center for Informatics

Informatics is the science of information, information processing, and the study of structures, algorithms, behavior, and interactions of natural and artificial systems that store, process, access and communicate information. The science of informatics thus overlaps a wide range of disciplines.

 

The Center for Informatics was founded under the aegis of the School of Natural Sciences (SoNS), Shiv Nadar University. Informatics is the science of information, information processing, and the study of structures, algorithms, behaviors and interaction of natural and artificial systems that store, process, access and communicate information. The science of informatics thus overlaps a wide range of disciplines. The center also encompasses research - linking different subject areas and fields.

Specific research programs and areas in the Center are set by the individual faculty, who nucleate inter-disciplinary research in select areas, exploiting synergies between overlapping programs in one or more schools the University. The current research focus includes Bioinformatics and Cheminformatics; Computational Nanoscience; Design of Organic Dyes and Organic / Polymer Semiconductors.

To know more on the Center and its activities, please contact:

Dr. N. Sukumar - n.sukumar@snu.edu.in

Head, Center for Informatics

Chemistry-Informatics collaborative research on organic ferroelectric material accepted for publication in Chemical Communication

Authors: Sanjay Dutta, Vikas,  Ashok Yadav, Ramamoorthy Boomishankar, Anu Bala, Vijay Kumar, Tirthankar Chakraborty, Suja Elizabeth, and Parthapratim Munshi*

Highlights of this work are:

1. first report of a novel single-component all-organic molecular ferroelectric system with high yet stable polarization and low coercive field.

2. discovery of a molecular ferroelectric crystal with highest thermal stability.

Application of Capsule Networks in Cheminformatics

Convolutional Neural Networks ( have dominated the field of computer vision for decades, with different variants of this Deep Neural Network ( being used for several vision tasks such as Image Processing, Image Recognition, and Image Segmentation and Feature Extraction However, CNNs do not take into account the spatial hierarchies between simple and complex objects Capsule Networks circumvent this issue by modeling hierarchical relationships using the Dynamic Routing algorithm and have achieved state of the art results with this approach 1 This ability of Capsule Networks has been employed

Application of network analysis and machine learning techniques to characterize polymorphs in the Cambridge Structural Database (CSD) and design new polymorphs

Polymorphs are compounds that exist in more than one crystalline state. The various polymorphs of a compound share some common properties but differ mainly in physical structure that leads to differences in melting points, boiling points, geometrical structure etc. These polymorphs, though of extreme interest to scientists, are often found accidentally. There doesn’t exist a mechanism to actually look for a specific polymorph and often their discovery is like serendipity.

Scientific Computation & Informatics

Target audience:

Undergraduate students of Physics, Chemistry and Life Sciences with an interest in computation, and students of Mathematics and Engineering interested in scientific applications of computation and machine learning.

Requirements for Minor in Scientific Computation & Informatics: 24 credits:

  • 16 Core credits not part of the student's Major Core requirements;
  • 8 Elective credits whether or not part of the student's Major Core requirements.

Center for Informatics researchers show how the stability of 2D perovskites is enhanced compared to bulk

Dr. Anu Bala and Prof. Vijay Kumar, in a paper just published in the Journal of Physical Chemistry C (2019) have shown how the stability of 2D structures of perovskites is enhanced compared to bulk. The inorganic part of these Organic-inorganic metal halide perovskites is the main contributor to the electronic and optical properties of the layers, while the van der Walls interactions between the ligands play a central role in enhancing the stability of the layers. These 2D systems constitute currently an important direction of research for solar energy materials.

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