B-spline tight frame based force matching method

• Main Authors: Yang, Jianbin, Zhu, Guanhua, Tong, Dudu, Lu, Lanyuan, Shen, Zuowei
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2018
• Subjects: Force Matching; Coarse-grained Methods
• Online Access: https://hdl.handle.net/10356/87036; http://hdl.handle.net/10220/45216
• Institution: Nanyang Technological University

In molecular dynamics simulations, compared with popular all-atom force field approaches, coarse-grained (CG) methods are frequently used for the rapid investigations of long time- and length-scale processes in many important biological and soft matter studies. The typical task in coarse-graining is...