47 citations · 108 across the 28 of their papers we have counts for
13 papers · 1 filter
Breaking Ion Clusters: Size Asymmetry for Faster Ion Transport in Polymer Electrolytes
Ganesh K Rajahmundry, Tarak K Patra
Solid polymer electrolytes (SPEs) are ion-containing solid materials composed of a polymer matrix that enables ionic transport while maintaining the mechanical stability. The conve…
Packing, Phase Separation and Interface Compatibility in Reversibly Crosslinked Polymers
Abhishek S. Chankapure, Rahul Karmakar, Srikanth Sastry +2
Vitrimers are a class of crosslinked polymer that are capable of undergoing bond exchange reactions, allowing structural reorganization while maintaining overall network integrity.…
Sequence-Defined Phase Behavior of Poly(N-Isopropylacrylamide-co-Acrylamide) in Water
Sandeep Parma, R. Nagaranajan, Tarak K Patra
The precise arrangement of different chemical moieties in a polymer determines its thermophysical properties. How the sequence of moieties impacts the properties of a polymer is an…
Microphase Separation Controls the Dynamics of Associative Vitrimers
Rahul Karmakar, Abhishek S. Chankapure, Srikanth Sastry +2
Vitrimers are a class of polymers characterized by dynamic covalent networks, where specific monomer units, which are know as stickers, form reversible crosslinks that enable netwo…
Rouse Mode Analysis of Chain Relaxation in Reversibly Crosslinked Polymer Melts
Rahul Karmakar, Srikanth Sastry, Sanat K. Kumar +1
Polymer melts with chains undergoing reversible crosslinking have distinctively favorable dynamic properties, e.g., self healing and reprocessability. In these situations there are…
Extrapolative ML Models for Copolymers
Israrul H. Hashmi, Himanshu, Rahul Karmakar +1
Machine learning models have been progressively used for predicting materials properties. These models can be built using pre-existing data and are useful for rapidly screening the…
Understanding Ion Distribution and Diffusion in Solid Polymer Electrolytes
Ganesh K Rajahmundry, Tarak K Patra
Solid polymer electrolytes exhibit ion conduction and high mechanical properties, thus are promising materials for future energy storage devices. The ion conductivity in an SPE is…
Entropic Cohesion in Vitrimers
Rahul Karmakar, Himanshu, Srikanth Sastry +2
Vitrimers are polymer networks that can undergo bond exchange reactions. They dynamically rearrange their structures while maintaining their overall integrity, thus resulting in un…
Predicting Pair Correlation Functions of Glasses using Machine Learning
Kumar Ayush, Pooja Sahu, Sk Musharaf Ali +1
Glasses offer a broad range of tunable thermophysical properties that are linked to their compositions. However, it is challenging to establish a universal composition-property rel…
Explainability and Transferability of Machine Learning Models for Predicting the Glass Transition Temperature of Polymers
Agrim Babbar, Sriram Ragunathan, Debirupa Mitra +2
Machine learning offers promising tools to develop surrogate models for polymer structure-property relations. Surrogate models can be built upon existing polymer data and are usefu…
Accelerated Design of Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning
Jan Michael Y. Carrillo, Vijith P, Tarak K. Patra +5
Star block copolymers (s-BCPs) have potential applications as novel surfactants or amphiphiles for emulsification, compatbilization, chemical transformations and separations. s-BCP…
dPOLY: Deep Learning of Polymer Phases and Phase Transition
Debjyoti Bhattacharya, Tarak K Patra
Machine learning (ML) and artificial intelligence (AI) have the remarkable ability to classify, recognize, and characterize complex patterns and trends in large data sets. Here, we…
Accelerating Copolymer Inverse Design using AI Gaming algorithm
Tarak K Patra, Troy D. Loeffler, Subramanian K R S Sankaranarayanan
There exists a broad class of sequencing problems, for example, in proteins and polymers that can be formulated as a heuristic search algorithm that involve decision making akin to…