Titlebook: High Performance Computing; 38th International C Abhinav Bhatele,Jeff Hammond,Carola Kruse Conference proceedings 2023 The Editor(s) (if ap

Palatial

End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAXysical systems at the atomic level. Unlike traditional classical force fields, ReaxFF employs dynamic bonding and polarizability to enable the study of reactive systems. Over the past couple decades, highly optimized parallel implementations have been developed for ReaxFF to efficiently utilize mode

instill

Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aiding quantum-mechanical accuracy but orders-of-magnitude faster, illustrated by ACM Gordon Bell prize (2020) and finalist (2021). State-of-the-art (SOTA) NNQMD model founded on group theory featuring rotational equivariance and local descriptors has provided much higher accuracy and speed than thos

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轻快带来危险

Quantum Circuit Simulation by SGEMM Emulation on Tensor Cores and Automatic Precision Selectionous methods for quantum circuit simulation, tensor network contraction has been increasing in popularity due to its ability to simulate a larger number of qubits. During tensor contraction, the input tensors are reshaped to matrices and computed by a GEMM operation, where these GEMM operations could

collagenase

A Study on the Performance Implications of AArch64 Atomics-and-swap” (CAS), which allows threads to perform concurrent read-modify-write operations on the same memory location, free of data races. On recent Arm architectures, CAS operations can be implemented either directly via CAS instructions, or via load-linked/store-conditional (LL-SC) instruction pai

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finale

esults were announced for aortic valvuloplasty performed at facilities with high experience [3–6]. Although the number of aortic valvuloplasties has increased compared to that of aortic valve replacements, the guidelines state that aortic valve replacement is still the standard surgical treatment.