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https://doi.org/10.60893/figshare.jcp.29635754
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posted on 2025-08-12, 12:08
authored by
Quadri O. Adewuyi
,
Suchona Akter
,
Md Omar Faruque
,
Dil Limbu
,
Zhonghua Peng
,
Praveen Thallapally
,
Mohammad R. Momeni
Supplementary Online Material
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DOI -
Is supplement to
<em>Elucidating Ion Capture and Transport Mechanisms of Preyssler Anions in Aqueous Solutions Using Biased MACE-Accelerated MD Simulations</em>
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Categories
Physical sciences
Keywords
Ion transport
MACE Foundation Models
Molecular Dynamics
Enhanced Sampling
Well-tempered Metadynamics
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CC BY-NC 4.0
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