2 papers
cond-mat.mtrl-sci2026
Multiscale Modelling of Ferroelectrics using a Physics-Informed Neural Network Driven by Molecular Dynamics Data: Parameter Identification and Field Reconstruction
Xuejian Wang, Frank Wendler, Hikaru Auzuma +5
In multiscale modeling of ferroelectrics, combining atomistic simulation with continuum-scale phase-field models (PFM) remains a fundamental challenge. A key difficulty lies in fai…
cond-mat.mtrl-sci2015
Sparse selection of bases in neural-network potential for crystalline and liquid Si
Ryo Kobayashi, Tomoyuki Tamura, Ichiro Takeuchi +1
The neural-network interatomic potential for crystalline and liquid Si has been developed using the forward stepwise regression technique to reduce the number of bases with keeping…