A new hybrid quantum-classical architecture, QCPINN, extends Physics-Informed Neural Networks to solve Partial Differential Equations, demonstrating comparable or superior accuracy with significantly fewer trainable parameters than classical methods. The research systematically evaluates various quantum circuit configurations to identify optimal designs for parameter-efficient PDE solutions.
View blogIBM Research and Hartree Centre researchers develop TrajCast, an autoregressive equivariant network framework that enables molecular dynamics simulations without force calculations, achieving 10-30x larger timesteps while accurately reproducing structural and dynamical properties across molecular, crystalline, and liquid systems with minimal training data.
View blogA fine-tuned machine-learned potential, MACE-MP-MOF0, enables high-throughput, ab initio-quality phonon calculations for Metal-Organic Frameworks (MOFs). It accurately predicts MOF structural and dynamic properties, including phonon density of states and bulk moduli, with inference speeds up to 90% faster than alternative methods.
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