2 papers
cs.LG2025
MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures
Elena Zamaraeva, Christopher M. Collins, George R. Darling +8
Geometry optimization of atomic structures is a common and crucial task in computational chemistry and materials design. Following the learning to optimize paradigm, we propose a n…
cond-mat.supr-con2003
Synthesis and characterisation of LixBC - hole doping does not induce superconductivity
A. M. Fogg, J. B. Claridge, G. R. Darling +1
The synthesis of LixBC (x > 0.5) by high temperature Li deintercalation from LiBC is demonstrated by refinement of X-ray and neutron powder diffraction data - contrary to theoretic…