News

Creation of a new journal

The KIM Initiative is pleased to announce the creation of KIM REVIEW, a new journal with a focus on publishing commentaries and fostering discussion about seminal papers in molecular simulation.

KIM REVIEW publishes commentaries on important articles related to classical molecular simulations of hard and soft matter materials. The objectives are to inform practitioners in the field of key contributions, both new developments and foundational work, and to provide a forum for community discussion of such innovations.

KIM REVIEW has published three commentaries to date:

  • Christoph Ortner on "Atomic cluster expansion for accurate and transferable interatomic potentials" (R. Drautz, Phys. Rev. B, 99:014104, 2019)
    Discussing the Atomic Cluster Expansion framework and its potential impact on the development of interatomic potentials based on machine learning.
  • Thomas Swinburne on "Long-Time Dynamics through Parallel Trajectory Splicing" (D. Perez, E. D. Cubuk, A. Waterland, E. Kaxiras, and A. F. Voter, J. Chem. Theory and Comput., 12:18–28, 2016)
    Summarizing the ParSplice approach to parallel-in-time trajectory generation with minimal mathematical development, emphasizing how the theoretical underpinning is essential for deployment at the exascale.
  • Stefano Angioletti-Uberti & Tine Curk on "Designing super selectivity in multivalent nano-particle binding" (F. Martinez-Veracoechea and D. Frenkel, PNAS, 108:10963, 2011)
    Discussing the physical origins of super selectivity, and how combinatorial entropy provides a fruitful point of view to understand ultra-sensitive binding responses involving multivalent agents.

Future publications will be announced on CECAM.org.

All commentaries are open access and may be viewed for free at kimreview.org. The public is invited to comments through a discussion forum thread attached to each Commentary.

KIM REVIEW is a project under the umbrella of the KIM (Knowledgebase of Interatomic Models) Initiative.