activity
20222026
most citedExtending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms

41 citations · 48 across the 5 of their papers we have counts for

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Showing 2025Show all

2 papers · 1 filter

cs.DC2025★ 1 cited

Deep Learning-Enabled Supercritical Flame Simulation at Detailed Chemistry and Real-Fluid Accuracy Towards Trillion-Cell Scale

Zhuoqiang Guo, Runze Mao, Lijun Liu +3

For decades, supercritical flame simulations incorporating detailed chemistry and real-fluid transport have been limited to millions of cells, constraining the resolved spatial and…

cond-mat.mtrl-sci2025

Large Scale Finite-Temperature Real-time Time Dependent Density Functional Theory Calculation with Hybrid Functional on ARM and GPU Systems

Rongrong Liu, Zhuoqiang Guo, Qiuchen Sha +6

Ultra-fast electronic phenomena originating from finite temperature, such as nonlinear optical excitation, can be simulated with high fidelity via real-time time dependent density…