GitHub

Colab tutorials for Coral

These Jupyter notebooks provide interactive Python tutorials for development with Coral. You can download these files and run them on a local Jupyter notebook, but ...
C&EN

Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX

Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania ...
IEEE

A Tutorial on Holographic MIMO Communications—Part I: Channel Modeling and Channel Estimation

Abstract: By integrating a nearly infinite number of reconfigurable elements into a finite space, a spatially continuous array aperture is formed for holographic multiple-input multiple-output (HMIMO) ...
GitHub

Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen

Disclaimer: I hope this tutorial will be useful to others wishing to run molecular dynamics simulations of membrane proteins with AMBER. However, it is as much for my own reference as a guide to ...
IEEE

Scaling Molecular Dynamics with ab initio Accuracy to 149 Nanoseconds per Day

Abstract: Physical phenomena such as chemical reactions, bond breaking, and phase transition require molecular dynamics (MD) simulation with ab initio accuracy ranging from milliseconds to ...