Jarvist Moore Frost
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jarvist.bsky.social
Jarvist Moore Frost
@jarvist.bsky.social
1.4K followers 330 following 95 posts
To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set.
RSURF & Lecturer, Imperial College London.
Computational chemist / physicist.
Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
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jarvist.bsky.social
Reproduces an animated version of Fig 1 from:
Krüger & Zaanen's 2008 "Fermionic quantum criticality and the fractal nodal surface." doi.org/10.1103/Phys...

Code: github.com/Frost-group/...
github.com/Frost-group/...

#physics #compchem
January 14, 2025 at 9:26 PM
jarvist.bsky.social
Actually did some work today! (PI life ^_^ ... it was really nice to sit at a terminal and struggle with errors...)

Metadynamics MD in XTB with an empirical tight binding model, looking at the collapse of an antimicrobial peptide in an implicit solvent. #compchem

github.com/Frost-group/...
December 17, 2024 at 4:26 PM