Differentiating a conformally mapped contour integral gives fast, accurate gradients of matrix functions, applied here to free-energy saddle searches for defects in silicon.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.comp-ph 1years
2024 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Fast automatically differentiable matrix functions and applications in molecular simulations
Differentiating a conformally mapped contour integral gives fast, accurate gradients of matrix functions, applied here to free-energy saddle searches for defects in silicon.