6 papers
A 3-semi-perfect 1-factorization of the six-dimensional hypercube
Guillaume Lambard
For a 1-factorization of the hypercube , let have vertex set , with an edge exactly when is a Hamilton cycle. Behague p…
Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure Generation
Auguste de Lambilly, Vladimir Baturin, David Portehault +4
Generative diffusion models have emerged as powerful tools for the discovery of inorganic crystal structures, yet steering their sampling process toward user-defined physical and c…
Beyond Structure: Revolutionising Materials Discovery via AI-Driven Synthesis Protocol-Property Relationships
Guillaume Lambard
The current structure-centric paradigm in artificial intelligence (AI)-driven materials discovery, despite delivering thousands of candidate structures, is stalling at a critical b…
Quantum-Aware Generative AI for Materials Discovery: A Framework for Robust Exploration Beyond DFT Biases
Mahule Roy
Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation…
An Analytical Exploration of the Erdös-Moser Equation Using Approximation Methods
Guillaume Lambard
The Erdös-Moser equation is a longstanding challenge in number theory, with the only known integer solution being . Here, we inve…
Exploring the Expertise of Large Language Models in Materials Science and Metallurgical Engineering
Christophe Bajan, Guillaume Lambard
The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work…