Showing 1 - 3 results of 3 for search '"classical molecular dynamics"', query time: 0.03s Refine Results
  1. 1
    Ab-initio trained machine learning potential for MAX compound Ti2AlC: construction, validation, and study of non linear elasticity

    Ab-initio trained machine learning potential for MAX compound Ti2AlC: construction, validation, and study of non linear elasticity by Aishwaryo Ghosh, Amitava Moitra, Tanusri Saha-Dasgupta

    Published 2025-01-01
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  2. 2
    Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling

    Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling by Alexander Landa, Per Söderlind, John Roehling, Joseph T. McKeown

    Published 2025-01-01
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  3. 3
    Engineering and design of a COF-coated probe for the detection and removal of flumequine and enrofloxacin antibiotics in foodstuffs: a molecular dynamics simulation approach

    Engineering and design of a COF-coated probe for the detection and removal of flumequine and enrofloxacin antibiotics in foodstuffs: a molecular dynamics simulation approach by Alireza Nakhaei, Heidar Raissi, Maryam Alaei, Farzaneh Farzad

    Published 2025-02-01
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