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The evolution of machine learning potentials for molecules, reactions and materials
9天前
已完结
Neural-network-based molecular dynamics simulations reveal that proton transport in water is doubly gated by sequential hydrogen-bond exchange
13天前
已完结
Simultaneous CO2/SO2 Capture Characteristics of Three Limestones in a Fluidized-Bed Reactor
1个月前
已完结
CO2 and SO2 sorption on the alkali metals doped CaO(100)surface: A DFT-D study
1个月前
已完结
CO2 adsorption enhancement over alkaline metal-promoted MgO with SO2, O2, and H2O present: A theoretical study
1个月前
已完结
ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations†
1个月前
已完结
Revealing the mechanism of hydration on the CO2 kinetic adsorption of CaO surface via ReaxFF MD simulations with experiments
2个月前
已完结
Enhanced sampling in molecular dynamics simulations and their latest applications—A review
2个月前
已完结
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy
2个月前
已完结
赵泓. 融合教育中听障儿童“回流”现象思考
2个月前
已完结
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