Optimization problem and efficient partitioning algorithm for transitions to finer-scale models in adaptive resolution simulation of articulated biopolymers

DOI10.1007/s11044-017-9603-6zbMath1419.92007MaRDI QIDQ1698679

Mohammad Poursina, Kurt S. Anderson

Publication date: 16 February 2018

Published in: Multibody System Dynamics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s11044-017-9603-6

zbMATH Keywords

optimization; molecular dynamics; divide-and-conquer algorithm; adaptive coarse graining; model transition

Mathematics Subject Classification ID

90C90: Applications of mathematical programming

92C40: Biochemistry, molecular biology

74P99: Optimization problems in solid mechanics

Uses Software

• RODAS
• AdResS