Irene Pusceddu
@irene-pusceddu.bsky.social
PhD student at CTM group, Chimie ParisTech - PSL
#CompChem
She/her
#CompChem
She/her
Reposted by Irene Pusceddu
What better first post than to share our last two preprints! 🚀
In one, we study how electric fields modulate chemical reactivity, and in the second, we explore a data-efficient strategy for the assembly of more representative benchmarking datasets for DFT validation.
@thijsstuyver.bsky.social
In one, we study how electric fields modulate chemical reactivity, and in the second, we explore a data-efficient strategy for the assembly of more representative benchmarking datasets for DFT validation.
@thijsstuyver.bsky.social
December 13, 2024 at 8:43 AM
What better first post than to share our last two preprints! 🚀
In one, we study how electric fields modulate chemical reactivity, and in the second, we explore a data-efficient strategy for the assembly of more representative benchmarking datasets for DFT validation.
@thijsstuyver.bsky.social
In one, we study how electric fields modulate chemical reactivity, and in the second, we explore a data-efficient strategy for the assembly of more representative benchmarking datasets for DFT validation.
@thijsstuyver.bsky.social