1 College of Computing, Georgia Institute of Technology, Atlanta, GA, USA. 2 School of Cybersecurity and Privacy, Georgia Institute of Technology, Atlanta, GA, USA ...

We have developed a theory that describes how the vibrational modes of a crystalline surface, such as a heterogeneous catalyst, affect molecular species adsorbed to that surface. The theory produces ...

High-throughput DNA sequencing technologies, including next-generation sequencing and the newly emerging third-generation sequencing, enable the gene sequences of living organisms to be probed in a ...

Atomic neural networks (ANNs) constitute a class of machine learning methods for predicting potential energy surfaces and physicochemical properties of molecules and materials. Despite many successes, ...

Hello, I'm just getting started with ASE_ANI and am trying to make sure the simple ani_quicktest.py runs before I try anything else. I noticed what seem to be some python type problems that I'm hoping ...