Centre for Computational and Integrative Sciences (CCIS)
Overview
The CCIS is an inter/multi-disciplinary centre. The primary motivations of this center are as follows:
- To foster and advance SRM University-AP as a research-oriented institution that embraces true interdisciplinary collaboration in alignment with the mission of SRM AP.
- To establish a dedicated platform within the university for interdisciplinary research in the areas of computational research
Core Research Areas
- Materials Genome for Energy
- Photo-functional Materials
- AI/ML for Energy
- Computational Fluid Dynamics
- Bioinformatics
Who can use
All students, research scholars and faculty across the University can access the HPCC facilities at CCIS.
Access to the Machine
Fill in the HPCC registration form, send it to the CCIS coordinator for approval and further follow-up process.
Vision
To be at the forefront of innovation and discovery, leveraging advanced supercomputing capabilities. We aim to foster collaborative, interdisciplinary research in diverse scientific and technological areas.
Mission
- Our mission is to facilitate collaborative projects and alliances with world-class research groups, promoting the exchange of ideas and expertise to drive transformative scientific advancements.
- We are dedicated to providing comprehensive training programmes, creating an extensive e-learning database, and conducting hands-on sessions.
- To conduct cutting-edge research, pushing the boundaries of knowledge and contributing solutions to pressing challenges in various scientific and technological domains.
Research Objectives
- Materials Genome Project for Energy (Prof. Ranjit, Dr Debabrata, Dr Ashu Abdul, Dr Mahesh and Dr Baswanth)
- Design and Development of Photo-functional Materials (Prof. Ranjit, Dr Mahesh and Dr Baswanth)
- Natural Language Generation for Medical Applications (in collaboration with SRM Technologies and AIIMS, Mangalagiri) (Dr Ashu Abdul)
- Modelling Protein and Biomacromolecule Interactions and Developing Algorithm and Databases related Bioinformatics (Dr Nagabhushana Rao and Dr Debabrata)
- Development of Open-source Softwares for Computational Fluid Dynamics (Dr Sathya Pramod Jammy)
Research Objectives
Publications will be uploaded periodically.
Acknowledgement
Proper acknowledgement should be given to any published work using these Supercomputing facilities. The following acknowledgment statement should be given: “The authors thank the SRM University–AP, Andhra Pradesh for providing the central computational facility”
System Specifications
| Total Theoretical Peak Floating-Point Performance | 103 TFLOPS |
| CPU Nodes Specifications | Intel(R) Xeon(R) Gold 6248R CPU, Clock Speed: 3.00 GHz, and 256 GB |
| No of Master Nodes | 1 |
| CPU Compute Nodes (Memory) | 12 (256 GB) |
| GPU Compute Nodes (Memory) | 1 (512 GB) |
| GPU Nodes Specifications | ECE |
| Total Memory | 2.4 TB |
Applications Available
| Applications Installed | VASP CP2K GAUSSIAN CILAB GROMACS |
QUANTUM ESPRESSO WIEN2K SCHRODINGER MATLAB LAMMPS |
| Assemblers | ALL PATHS RAY VELVET SOAP DENOVO EDENA OASES |
CELERA SSPACE VELVET OPTIMISER SOAP DENOVO-TRANS TRANS-ABYSS CAP3 |
| Interpreters and Runtime Environments | R BIO CONDUCTOR PYTHON BIO PERL |
BIO PYTHON JAVA PERL NUMPY |
Training/Outreach Activities
We periodically conduct workshops and hands-on sessions to encourage and enrich students. Tune to it for future events.
Team CCIS
Dr Atanu Kumar Metya
Associate Professor, Chemistry
Coordinator
Dr Debabrata Pramanik
Assistant Professor, Physics
Co-Coordinator
Prof. Ranjit Thapa
Professor, Physics
Member
Dr Satya Pramod Jammy
Associate Professor, Mechanical Engineering
Member
Dr Naga Bhushan Karampudi
Assistant Professor, Biological Sciences
Member
Dr Baswanth Oruganti
Assistant Professor, Chemistry
Member
