Commentaries

• Boltzmann Generators and the New Frontier of Computational Sampling in Many-Body Systems
  
  Alessandro Coretti¹; Sebastian Falkner¹; Jan Weinreich¹; Christoph Dellago¹; O. Anatole von Lilienfeld^{2
  1}Faculty of Physics, University of Vienna, Austria
  ²Vector Institute and Departments of Chemistry and Materials Science and Engineering, University of Toronto, Canada
  
  Commentary on F. Noé, S. Olsson, J. Köhler and H. Wu, "Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning", Science, 365:6457 (2019)
  
  KIM REVIEW, Volume 2, Article 03, 2024
  Published: April 22, 2024
  
  
• Ultra-sensitive binding response: Superselectivity and the role of combinatorial entropy in binding
  
  Stefano Angioletti-Uberti¹; Tine Curk^{2
  1}Department of Materials, Imperial College London, UK
  ²Department of Materials Science and Engineering, Johns Hopkins University, USA
  
  Commentary on F. Martinez-Veracoechea and D. Frenkel, "Designing super selectivity in multivalent nano-particle binding", PNAS, 108:10963 (2011)
  
  KIM REVIEW, Volume 2, Article 02, 2024
  Published: February 6, 2024
  
  
• ParSplice: strong exa-scaling of molecular dynamics
  
  Thomas Swinburne
  CNRS and CINaM, Aix-Marseille Université, France
  
  Commentary on D. Perez, E. D. Cubuk, A. Waterland, E. Kaxiras, and A. F. Voter, "Long-Time Dynamics through Parallel Trajectory Splicing", J. Chem. Theory and Comput. 12:18–28 (2016)
  
  KIM REVIEW, Volume 2, Article 01, 2024
  Published: February 1, 2024
  
  
• On the Atomic Cluster Expansion: interatomic potentials and beyond
  
  Christoph Ortner
  Department of Mathematics, University of British Columbia, Canada
  
  Commentary on R. Drautz, "Atomic cluster expansion for accurate and transferable interatomic potentials", Phys. Rev. B, 99:014104 (2019)
  
  KIM REVIEW, Volume 1, Article 01, 2023
  Published: August 8, 2023
  
  

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Coming Soon

• Commentary on K. Koga et al., 'Formation of ordered ice nanotubes inside carbon nanotubes', Nature, 412:802–805 (2001)
  
  
• Commentary on H. Jung et al., 'Machine-guided path sampling to discover mechanisms of molecular self-organization', Nat. Comput. Sci., 3:334—345 (2023)
  
  
• Commentary on L. A. Zepeda-Ruiz et al., 'Atomistic insights into metal hardening', Nature Materials, 20:315–320 (2021)