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Finite temperature string method for the study of rare events
E Weinan et al.
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RJ Allen et al.
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AK Faradjian et al.
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TS van Erp et al.
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Crystallization of weakly charged colloidal spheres: a numerical study
S Auer et al.
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String method for the study of rare events
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G Henkelman et al.
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F El Azhar et al.
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