4 papers
High-performance linear-scaling electronic structure method via chromatic superposition states
Zhikang Jiang, Zhizhi Xiao, Mingfa Tang +4
We introduce a high-performance linear-scaling electronic structure method that employs chromatic superposition states (CSS) as a low-dimensional, high-fidelity representation, whi…
Modelling instrumental response for neutron scattering experiments at CSNS
Ni Yang, Zi-Yi Pan, Ming Tang +2
Thermal neutron total scattering experiments of light and heavy water were reproduced using the CSNS in-house Monte Carlo thermal neutron transport code, Prompt, with a focus on th…
BzScope: an absolute cross section calculator for neutron-phonon scattering
Ming Tang, Zi-Yi Pan, Ni Yang +2
BzScope is a Python package designed for efficiently calculating absolute cross sections of neutron-phonon inelastic scattering for crystalline powders in large phase spaces, addre…
Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
Jielan Li, Zekun Chen, Qian Wang +21
Heat transfer is a fundamental property of matter. Research spanning decades has attempted to discover materials with exceptional thermal conductivity, yet the upper limit remains…