Co-Authorship and Keyword Networks in Five Decades of Molecular Simulation: A Network Analysis of a Scientific Publication Portfolio

Abstract In the present paper, we illustrate and analyze the coauthorship network of publications authored by Michael L. Klein using standard social network analysis techniques. Beyond presenting and analyzing the author-keyword network assigned to his publications, we also introduce abstract-similarity networks to enable a deeper and broader exploration of the relationships among Michael L. Klein’s publications. The resulting network structures and communities are also interpreted from a chemical perspective, highlighting recurring connections between simulation methodology, force-field development, and major application areas such as aqueous systems, lipid membranes, membrane proteins, and soft-matter self-assembly. More broadly, the study illustrates how network-based approaches can be used to map the organization of a large molecular simulation research program.