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Published in 2022 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2021.139182
Abstract: Abstract we proposed a new algorithm to generate proton disordered ice Ih, which greatly improves the operation efficiency. The direct coexistence technology was used to simulate the freezing of aqueous solution of TIP4P/Ice water and…
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Keywords:
proton disordered;
new algorithm;
disordered ice;
tip4p ice ... See more keywords