QuantumWise is happy to announce that we will host a free webinar on atomistic simulations of thermal transport across materials interfaces using the Virtual NanoLab (VNL) and ATK-Classical software.

In a short lecture (30 minutes), you will learn the basic concepts of thermal transport. We will particularly focus on non-equilibrium molecular dynamics (NEMD) and phonon transmission based on non-equilibrium Green's functions (NEGF), which will be used in the following hands-on session (1 hour). Here, you will be guided through practical examples on how to simulate the thermal conductance across a grain boundary in silicon. Afterwards, there will be time for questions and discussion. The entire webinar will take two hours.

For the hands-on part it would be beneficial if you already had VNL-ATK installed on your computer. Academic users can obtain a free license for VNL including ATK-Classical here. A 30 day free trial license is available for all users, as well. You can of course also join the webinar without having the VNL-ATK software installed.

This is the second webinar in our series of webinars on molecular dynamics simulations. The slides of our first webinar can be found here. More information on thermal transport simulations with ATK-Classical can be found in our recent paper, uploaded here.

After registering, you will receive a confirmation email containing information about how to join the webinar. For any questions about the webinar, please contact [email protected].