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.
We are a diverse community of nanotechnology researchers and educators
nanoHUB.org is the premier place for computational nanotechnology research, education, and collaboration. Our site hosts a rapidly growing collection of Simulation Programs for nanoscale phenomena that run in the cloud and are accessible through a web browser.
nanoHUB also provides a vast array of resources that help users learn about our simulation programs and about nanotechnology in general. We offer a venue to explore, collaborate, and publish new content.
Our mission is to accelerate innovation through user-centric science & engineering.
Tools of the trade
nanoHUB lets you run over 320 simulation tools in a web browser. Powered by a sophisticated cyberinfrastructure and run transparently in a scientific computing cloud at Purdue University and national grid resources your simulations are in good hands – nanoHUB uptime is more than 99%.
Connect & Collaborate
Organize collaborative groups and projects for task tracking, document & data sharing, and publishing.
Share Your Efforts
We encourage our members to gain wide exposure by sharing their course materials, simulation tools, and other relevant items on nanoHUB.
our partners help us make a difference in science