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**Submitting author:** @aksam432 (Akshay Krishna Ammothum Kandy)
**Repository:** https://github.com/LAM-GROUP/PLIP
**Branch with paper.md** (empty if default branch): paper
**Version:** v0.3.4
**Edito…
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### Name
Josh Vita
### Email
vita1@llnl.gov
### Dataset name
phase_change_memory_materials_2023
### Authors
Yuxing Zhou, Wei Zhang, Evan Ma, Volker L. Deringer
### Links
* Publication: https:…
jvita updated
9 months ago
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**Submitting author:** @aksam432 (Akshay Krishna Ammothum Kandy)
**Repository:** https://github.com/LAM-GROUP/PLIP
**Branch with paper.md** (empty if default branch): paper
**Version:** v0.3.4
**Edito…
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Hi,
I am calculating the melting temperature of aluminum with ML-IAP SNAP using pyiron. In my calculations, melting temperature oscillates around the experimental value. The magnitude of the oscil…
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**Submitting author:** @pastewka (Lars Pastewka)
**Repository:** https://github.com/libAtoms/matscipy
**Branch with paper.md** (empty if default branch):
**Version:** 0.8.0
**Editor:** @diehlpk
**Rev…
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Hi authors. I have used pacemaker to train a pace potential for disordered materials. The training and testing accuracy is impressive. But when I actually run LAMMPS with pace, I encounter a problem w…
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Dear JOSS team, as part of a [project](https://potentials.rub.de/2022/index.php) we developed a set of workflows in the field of computational materials science. The workflows encompass everything fro…
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Dear developers,
I am using QUIP to obtain the interatomic potential of an amorphous system. I have some questions about the "core_param_file" keyword:
1) instead of using in the same input file…
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**Submitting author:** @rohskopf (Andrew Rohskopf)
**Repository:** https://github.com/FitSNAP/FitSNAP
**Branch with paper.md** (empty if default branch):
**Version:** 3
**Editor:** @jmschrei
**Review…
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The docs seem to indicate that SiLU is a possible fused nonlinearity, listing Conv + SiLU as a fusion option (https://intel.github.io/intel-extension-for-pytorch/tutorials/features/graph_optimization.…