Tang Xinya

2 Questions 1 Answers 0 Followers

Questions related from Tang Xinya

In LAMMPS, how do you invoke/call the GAP (Gaussian Approximation Potential) machine learning potential function?

I am reaching out to seek assistance in utilizing the GAP machine learning potential that developed 2018 publication titled "Achieving DFT accuracy with a machine-learning interatomic potential:...

07 December 2023 7,567 1 View

How to use LAMMPS to calculate the vibrational frequencies of systems with interstitials?

I am currently engaged in calculating the phonon vibration frequencies of self-interstitial atom (SIA) clusters in tungsten, aiming to subsequently compute the vibrational free energy.Due to the...

25 November 2023 7,943 1 View