In this nanoBIO workshop talk, JCS Kadupitiya will discuss ideas on integrating deep learning methods with HPC-accelerated molecular dynamics simulations of soft materials to enhance their predictive power and advance their applications for research and educational activities.

nanoBIO tool reveals novel ways of controlling design of shape-changing nanoparticles. The findings could be used in the design of smart drug-delivery containers and have applications in nanomedicine and the development of new reconfigurable materials.

Machine learning tool for screening and analysis of solvent performance in liquid phase exfoliation of 2D materials using simulation data.

The Winter Interactive nanoBIO Workshop will teach students and researchers to understand a variety of biological problems using nanoHUB's easy-to-use cloud-based simulation tools.

Explore and use educational modules for data science and machine learning in engineering. Each module consists of a recorded lecture, hands-on tutorial, and homework assignment with online simulations.

A comprehensive database of recipes and results of graphene synthesis by chemical vapour deposition, as well as a suite of software tools to analyze the database.

This app empowers users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure. The app facilitates investigations for a wide array of ionic and environmental parameters using standard molecular dynamics (MD) method for unpolarizable surfaces.

This model simulates viral dynamics of SARS-CoV-2 (coronavirus / COVID19) in a layer of epithelium and an immune response. It is being rapidly prototyped and refined with community support.

Built on the sophisticated CompuCell3D framework, the COVID-19 Virtual Tissue Model provides a predictive multiscale modeling framework that integrates the wide variety of clinical and research data into a predictive, mechanism-based computational model.