34th IUPAP Conference on Computational Physics(CCP2023)

Presentation information

Poster

Poster

Poster 2

Mon. Aug 7, 2023 4:00 PM - 6:00 PM Reception Hall (3F)

[PS2-87] A Gradient-Based Approach for Optimizing Molecular Structures using Atomic Force Microscopy Images and Normal Mode Analysis

*Xuan Wu1, Osamu Miyashita2, Florence Tama1,2,3 (1. Nagoya University (Japan), 2. RIKEN Center for Computational Science (Japan), 3. Institute of Transformative Bio-Molecules, Nagoya University (Japan))

Keywords:Atomic force microscopy (AFM), Normal mode analysis (NMA), Optimization algorithm, Gradient-based approach

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