4 papers
Effects of Porous Media Properties and Flow Environment on Drug Release from Porous Implants
Pawan Kumar Pandey, KVS Chaithanya, Prateek K. Jha
Drug-Filled Porous Implants (DFPIs) are an innovative solution for delivering drugs in a controlled and sustained manner to target sites. To optimize their performance across vario…
Monte Carlo Simulations of Infection Spread in Indoor Environment
Rahul Sheshanarayana, Prateek K. Jha
The dynamics of infection spread in populations has received popular attention since the outbreak of Covid-19 and many statistical models have been developed. One of the interestin…
Coarse-Grained Configurational Polymer Fingerprints for Property Prediction using Machine Learning
Ishan Kumar, Prateek K Jha
In this work, we present a method to generate a configurational level fingerprint for polymers using the Bead-Spring-Model. Unlike some of the previous fingerprinting approaches th…
Trends in pKa Values for polyprotic carboxylic acids
Shivam Parashar, Prateek K. Jha
In this work we have reported the pKa values for straight chain (without branches) oligomers of Acrylic acid using CBS-QB3 gas phase energies with solvation free energies from CPCM…