3 papers
cond-mat.mtrl-sci2026
Atomic-scale order enables high thermal boundary conductance at -GaO/4H-SiC interfaces
Hongao Yang, Yongtao Yang, Yuanbin Liu +8
Thermal boundary conductance (TBC) at dissimilar interfaces imposes a fundamental limit on electronic device performance, yet predicting and understanding heat transport across rea…
cond-mat.mtrl-sci2025
Bond-Network Entropy Governs Heat Transport in Coordination-Disordered Solids
Kamil Iwanowski, Gábor Csányi, Michele Simoncelli
Understanding how the vibrational and thermal properties of solids are influenced by atomistic structural disorder is of fundamental scientific interest, and paramount to designing…
cond-mat.mtrl-sci2025
Thermal Conductivity Predictions with Foundation Atomistic Models
Balázs Póta, Paramvir Ahlawat, Gábor Csányi +1
Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across…