Anthony
@antobi.bsky.social
ML Scientist @ MatNex
Doctoral Prize Fellow; PhD @ Imperial College London
Doctoral Prize Fellow; PhD @ Imperial College London
Reposted by Anthony
Point defects in crystals act as molecules with distinct local structures & excitations. Following “Imperfections are not 0 K" doi.org/10.1039/D3CS..., Irea has trained ML force fields to explore the impact of temperature on defect thermodynamics
#CompChem preprint at: arxiv.org/abs/2412.16741
#CompChem preprint at: arxiv.org/abs/2412.16741
January 2, 2025 at 10:09 AM
Point defects in crystals act as molecules with distinct local structures & excitations. Following “Imperfections are not 0 K" doi.org/10.1039/D3CS..., Irea has trained ML force fields to explore the impact of temperature on defect thermodynamics
#CompChem preprint at: arxiv.org/abs/2412.16741
#CompChem preprint at: arxiv.org/abs/2412.16741
Reposted by Anthony
Inspiring talk by @lonepair.bsky.social at #F24MRS including fascinating assessments of the traditional roles of modelling and experiment compared to the role of the data-driven approach „Captain“ 🧑✈️
December 2, 2024 at 7:16 PM
Inspiring talk by @lonepair.bsky.social at #F24MRS including fascinating assessments of the traditional roles of modelling and experiment compared to the role of the data-driven approach „Captain“ 🧑✈️
Reposted by Anthony
What can be more digital alchemy than transforming from noise into a realistic material? #Chemeleon is our first #GenerativeAI model for crystals, and its architect is @hspark1212.bsky.social 🦎 #ChemSky #CompChemSky
Preprint: chemrxiv.org/engage/chemr...
Code: github.com/hspark1212/c...
Preprint: chemrxiv.org/engage/chemr...
Code: github.com/hspark1212/c...
November 26, 2024 at 9:03 PM
What can be more digital alchemy than transforming from noise into a realistic material? #Chemeleon is our first #GenerativeAI model for crystals, and its architect is @hspark1212.bsky.social 🦎 #ChemSky #CompChemSky
Preprint: chemrxiv.org/engage/chemr...
Code: github.com/hspark1212/c...
Preprint: chemrxiv.org/engage/chemr...
Code: github.com/hspark1212/c...