Work

Simulating dynamic bonding in soft materials

Year: 2026

Type: review

Abstract: Dynamic bonding is an essential feature of many soft materials. Molecular simulations have proven to be a powerful tool for modeling bonding kinetics and thermodynamics in these materials, providing insights into their properties that cannot be obtained by experiments alone. Here, we review recent advances in modeling dynamic bonding in soft matter via molecular dynamics, Monte Carlo, and hybrid simulation methods, highlighting outstanding challenges and future directions.

Source: Current Opinion in Colloid & Interface Science

DOI: 10.1016/j.cocis.2026.102019

Authors: Tyla R. Holoman, B.P. Prajwal, Glen M. Hocky, Thomas M. Truskett

Institutions: The University of Texas at Austin, University of Michigan, New York University

Language: English

Topic: Advanced Physical and Chemical Molecular Interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,210

Funders: National Science Foundation, Materials Research Science and Engineering Center, Harvard University, Division of Materials Research, Division of Chemical, Bioengineering, Environmental, and Transport Systems