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General Questions and Answers / MTP no active learning is suitable for MD simulation at 300K~600K?
« on: February 16, 2024, 14:18 »
Hi all.
I just wanted to make sure something. I'm a bit confused about the MTP after the initial crystalTrainingRandomDisplacement. no active learning is involved. I was wondering if it's safe to use such an MTP for molecular dynamics simulations, The temperature of the simulation is between 300k and 600k, and the crystals are still in crystal form. Could you help me out with this? Thanks!
I just wanted to make sure something. I'm a bit confused about the MTP after the initial crystalTrainingRandomDisplacement. no active learning is involved. I was wondering if it's safe to use such an MTP for molecular dynamics simulations, The temperature of the simulation is between 300k and 600k, and the crystals are still in crystal form. Could you help me out with this? Thanks!