📢Out now! Weiluo Ren and colleagues develop a framework for improving the efficiency and scalability of NNQMC with local pseudopotentials. www.nature.com/articles/s43... #chemsky 🔓 rdcu.be/ftfbq
Empowering neural network-based quantum Monte Carlo with local pseudopotentials - Nature Computational ScienceThis study shows that local pseudopotentials boost the efficiency of neural network-based quantum Monte Carlo while preserving accuracy, enabling reliable simulations of large, challenging iron–sulfur...www.nature.com