3 papers
cond-mat.mtrl-sci2023
Thermal Conductivity of Water at Extreme Conditions
Cunzhi Zhang, Marcello Puligheddu, Linfeng Zhang +2
Measuring the thermal conductivity () of water at extreme conditions is a challenging task and few experimental data are available. We predict for temperatures and pressures…
cond-mat.mtrl-sci2023
Engineering the formation of spin-defects from first principles
Cunzhi Zhang, Francois Gygi, Giulia Galli
The full realization of spin qubits for quantum technologies relies on the ability to control and design the formation processes of spin defects in semiconductors and insulators. W…
physics.comp-ph2021
Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
Zheyong Fan, Zezhu Zeng, Cunzhi Zhang +4
We develop a neuroevolution-potential (NEP) framework for generating neural network based machine-learning potentials. They are trained using an evolutionary strategy for performin…