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Bond-Network Entropy Governs Heat Transport in Coordination-Disordered Solids

Kamil Iwanowski1,2, Gábor Csányi3, and Michele Simoncelli1,2,*

  • 1Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York, USA
  • 2Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom
  • 3Applied Mechanics Group, Mechanics, Materials and Design, Department of Engineering, University of Cambridge, Cambridge, United Kingdom

  • *Contact author: michele.simoncelli@columbia.edu

How Disorder Regulates Heat Flow

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Physics 19 8 (2026)

Fast Ionic Transport Governed by Collective Vibrational Dynamics

Yixin Xu, Xing Xiang, Zhigang Li, Yanglong Lu, and Yanguang Zhou

Phys. Rev. Lett. 136 126302 (2026)

Anharmonic Effects Revealed by Temperature-Dependent Phonon Lifetimes and Thermal Conductivities in a π-Conjugated Molecular Crystal

Guillermo Santamaría, Francesco Siddi, Abel Carreras, Riccardo Dettori, Michele Simoncelli, Claudio Melis, David Casanova, and David Beljonne

J. Chem. Theory Comput. 22 5742 (2026)

LLM-driven discovery for carbon allotropes with bond-network entropy

Yuzhou Hao, Yujie Liu, Xuejie Li, Turab Lookman, Xiangdong Ding, Jun Sun, and Zhibin Gao

Applied Physics Letters 128 102202 (2026)

Tunable Thermal Pathways in Glassy Carbon via Nanodomain Orientation: Comparison to Thermal Management Materials in Batteries

Carla de Tomas, Shiqian Hu, and Junichiro Shiomi

ACS Appl. Energy Mater. acsaem.5c03082 (2026)

Bond-Network Entropy Governs Heat Transport in Coordination-Disordered Solids

Kamil Iwanowski, Gábor Csányi, and Michele Simoncelli

Phys. Rev. X 15 041041 (2025)

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