Computational Materials Design | AI and Machine Learning | High-Performance Computing | Sustainable Polymers
Computational Materials Design | AI and Machine Learning | High-Performance Computing | Sustainable Polymers
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Patra Research Group is an interdisciplinary theoretical and computational laboratory in the department of chemical engineering at IIT Madras. Our focus is on the molecular-scale design of soft and nano materials. We combine molecular simulations, machine learning and statistical thermodynamics to advance the current understanding of molecular scale interactions and processes that determine macroscopic properties of soft materials.
Patra Research Group is an interdisciplinary theoretical and computational laboratory in the department of chemical engineering at IIT Madras. Our focus is on the molecular-scale design of soft and nano materials. We combine molecular simulations, machine learning and statistical thermodynamics to advance the current understanding of molecular scale interactions and processes that determine macroscopic properties of soft materials.
We further develop and employ high-throughput computational methods to accelerate soft materials design. The potential systems of interest are polymer electrolytes, polymer nanocomposites, and nanoparticle superlattices. In all of these systems, polymer segmental dynamics play a key role in determining their structure and thermophysical properties. We strive to understand these correlations and manipulate nanoscale interactions for discovering new materials.
We further develop and employ high-throughput computational methods to accelerate soft materials design. The potential systems of interest are polymer electrolytes, polymer nanocomposites, and nanoparticle superlattices. In all of these systems, polymer segmental dynamics play a key role in determining their structure and thermophysical properties. We strive to understand these correlations and manipulate nanoscale interactions for discovering new materials.
Overall, we are a data-driven science and materials design laboratory studying complex physical science problems that have implications to energy, environment, medicine and future electronics. Our works aim to develop useful design rules for flexible electronics; polyelectrolytes for energy storage application; and more efficient nanostructured materials for gas storage, water purification, energy harvesting and many other applications.
Overall, we are a data-driven science and materials design laboratory studying complex physical science problems that have implications to energy, environment, medicine and future electronics. Our works aim to develop useful design rules for flexible electronics; polyelectrolytes for energy storage application; and more efficient nanostructured materials for gas storage, water purification, energy harvesting and many other applications.
Recent News
Recent News
Sep 2023
Ganesh presented his work at the IMSC 2023, in Osaka, Japan.
Aug 2023
Sharanya presented her work at the International Congress on Rheology (ICR 2023), Athens, Greece.
Jul 2023
Mr. Israrul joins the group as a Project Scientist. Welcome Israrul!
May 2023
Yogesh presented his work at Molecular Simulations: Advances and Applications, IIT Bombay.
Mr. Israrul joins the group as a Project Scientist. Welcome Israrul!
Mr. Sandeep Parma joins the group as a PhD Scholar. Welcome Sandeep!
Dr. Rahul Karmakar joins us as a senior project Engineer. Welcome, Dr. Karmakar!
Mr. Somtirtha Santra, Ms. Sayani Karmakar, Mr. Rajeev Kumar, Mr. Shubham, and Mr. Arun joined us for their master's thesis. Welcome All!
Mar 2023
Dr. Patra gave a talk at American Phyiscal Society (APS March 2023), Las Vegas, Nevada, USA.
Sachin presented his work at American Phyiscal Society (APS March 2023), Las Vegas, Nevada, USA.
Dec 2022
Sachin gave a talk at Complex Fluids Symposium 2022, IIT Kharagpur Research Park Kolkata.
Dr. Patra gave a talk at Complex Fluids Symposium 2022, IIT Kharagpur Research Park Kolkata.
Kumar Ayush got a job offer from TCS R&D!
Kaushik got a job offer from Zee Entertainment!
Maniteja got a job offer from Reliance New Energy R&D!
Deepthi got a job offer from Sterlite!
Vasantha and Himanshu got a job offer from Kotak Mahindra!
Nov 2022
Dr. Upasana got a job offer from BITS Pilani as Assistant Professor!
Ganesh received the prestigious PMRF fellowship!
July 2022
Nayan got an offer to join Ph.D. program at the University of Groningen!
Vibhu got an offer to join Ph.D. program at UCSD!
Abhishek got a job offer from ABSTC!
Jan 2022
ACS Polymers Au has recognized Dr. Patra as a "2021 Rising Star of Polymers". We are grateful to ACS Polymers Au for recognizing our research initiative at IIT Madras.
Oct 2021
Ms. Vasantha Lakshmi Punna joins the group for M.Tech thesis. Welcome Vasantha!
Mr. Kaushik Chakraborty joins the group for M.Tech thesis. Welcome Kaushik!
Mr. Marripelli Maniteja joins the group for M.Tech thesis. Welcome Maniteja!
Sep 2021
We are excited to welcome seven graduate students in our LAB. Welcome Sharanya, Himanshu, Ayush, Ram, Yoghesh, Javed and Ashok!
Dr. Upasana Mahanta joins us as a senior project scientist. Welcome Dr. Mahanta!
Aug 2021
Mr. Vibhu Vardhan Singh joins us as a project associates. Welocme Vibhu.
May 2021
Mr. Sriram Raghunathan and Mr. Raj Jain join us for their master's thesis. Welcome Sriram and Raj !!
Mr. Mohnish Goyal from BITS Pilani and Mr. Gokulakannan Sakthivel from NIT Rourkela have joined us as undergraduate interns. Welcome Mohnish and Gokul !!
Mr. Praneeth Srivanth Ramesh from Sea6 Energy Pvt. Ltd. joins us as a visitor. Welcom Praneeth! Hope you will have a productive research stay with us.
Mr. Abhishek Seth join the group as a master student! Welcome Abhishek!
April 2021
Mr. Rajahmundry Ganesh Kumar joins the group as a PhD candidate. Welcome Ganesh!
Mr. Ashok Yacham joins us as a project scientist. He will start his PhD from Aug, 2021. Welcome Ashok!
March 2021
Dr. Patra gave an invited lecture on "Molecular design of polymeric ionic liquid for energy storage materials" in Internatinal workshop on Green ans Sustainable Energy Storage/Converstion at CRSU, Jind.
Dr. Patra gave a talk on "Deep Learning of Polymer Phases and Phase transtion" at American Physical Society (APS)'s March Meeting.
Dr. Patra received National Supercomputing Mission (NSM)'s reseach grant under R&D projects leading to Exascale computing. This funding will be utilized for Molecular Design of Polymeric Ionic Liquids for Energy Storage Materials. We gratefully acknowledge NSM for the funding.
Dr. Patra gave an invited seminar on integration of molecular simulation and AI for accelerating materials design in a training program at CSIR-NIIST.
Februrary 2021
Akhil got a job offer from Navin Fluroine!
Ashwin got an offer to join PhD program of UIUC!
Debjyoti got an offer to join PhD program of PennState!
Many congratulations to Akhil, Ashiwn and Debjyoti and all the best for your future endeavour.
January 2021
Dr. Ranjit Nanda (PH), Dr. Tarak Patra (CH), Dr. Shantanu Mukherjee (PH) and Dr. Satyesh Jadav (MME) received Institute of Eminence (IoE) funding for establishing the Center for Atomistic Modeling and Materials Design (CAMMD).
Dr. Patra and 12 other facuty from the Deparment of Chemical Engineering received IoE funding for establishing a new center on Cabon Caputre, Utilization and Storage (CCUS). Prof. Preeti Aghalayam will lead this center.
December 2020
Dr. Patra received IIT Madras exploratory research grant! We gratefully acknowledge ICSR, IITM for the funding. This fund will be utilized to establish deep learning framework for predicting phase transitions.
The group received one million hours of computing time of Carbon Super Compuer. We gratefully acknowledge Cener for Nanoscale Materials, Argonne National Laboratory for providing us access to the Carbon.
Dr. Patra gave an invited talk on the application of machine learning in characteriztion polymer phase transtion at Soft Matter Young Investigators Meet (SMYIM 2020)
Mr. Debjyoti Bhattacharya presented his work at CompFlu2020 and 4th International Conference on Soft Matter (ICSM)
October 2020
Dr. Patra received SERB start-up research grant! We gratefully acknowledge SERB, DST, Gov. India for the funding. This fund will be utilized to investigate grafted nanoparticle membranes.
August 2020
Mr.Sameer Nandkishore Soni is selected for IITM Young Research Fellow! Many Congratulations Sameer and Welcome to the group!
July 2020
Akhil Narasimha joins the group. Welcome Akhil!
July 2020
Mr. Attili Vinayak Ram has joined the group as a senior project engineer. Welcome Vinayak!
May 2020
The group receives one million hours of computing time on Theta of Argonne Leadership Computing Facility. We gratefully acknowledge Argonne National Laboratory for providing us access to its leadership class computing facility.
April 2020
Mr. Ashwin Bale from BITS Hyderabad joins the group as a visiting undergraduate researcher. Welcome Ashwin!
March 2020
Mr. Ashish Kumar Sahu and Mr. Debjyoti Bhattacharya join the group. Welcome to Ashish and Debjyoti !!
February 2020
Dr. Patra gave an invited talk on "Correlation between glass formation and ion conductivity in Polymeric Ionic liquids" in a symposium on "Molecular Simulations of Complex Fluids and Interfaces" at IIT Kanpur.
Mr. Akiti Gunavardhan joins our group. Welcome Akiti!
January 2020
Mr. Sachin MB Gautham joins our group as a PhD candidate. Welcome Sachin!
November 2019
Dr. Patra joined as an assistant professor of chemical engineering at IIT Madras. His research group is located at New Academic Complex (NAC 447), and Mechanical Science Building (MSB 130 & 133).
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Our Research Sponsors
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