Sotiris S. Xantheas
- Parallel implementation of the Density Matrix Renormalization Group method achieving a quarter petaFLOPS performance on a single DGX-H100 GPU node
2024/07/10 by Andor Menczer, Menczer, Andor, Maarten Van Damme +13 · 10 citations
Physics and Astronomy · #Advanced Condensed Matter Physics #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Physics of Superconductivity and Magnetism #Strongly Correlated Electrons (cond-mat.str-el) #Theoretical and Computational Physics
- Orbital optimization of large active spaces via AI-accelerators
2025/03/26 by Örs Legeza, Andor Menczer, Legeza, Örs +15 · 7 citations
Engineering · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Space Satellite Systems and Control #Spacecraft Design and Technology #Spacecraft Dynamics and Control #Strongly Correlated Electrons (cond-mat.str-el)
- Electronic structure simulations in the cloud computing environment
2024/10/21 by Eric J. Bylaska, Ajay Panyala, Nicholas P. Bauman +29 · 1 voice · 1 citation
Engineering · Physics and Astronomy · #Advanced Memory and Neural Computing #Quantum and electron transport phenomena #Semiconductor materials and devices
- Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
2025/04/14 by Jesun Firoz, Firoz, Jesun, Franco Pellegrini +35 · 2 citations
Computer Science · Materials Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Distributed #FOS: Computer and information sciences #Graph Theory and Algorithms #Machine Learning in Materials Science #Parallel #and Cluster Computing (cs.DC)