23 citations · 37 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2022★ 23 cited
Automatic Differentiation for the Direct Minimization Approach to the Hartree-Fock Method
Naruki Yoshikawa, Masato Sumita
Automatic differentiation has become an important tool for optimization problems in computational science, and it has been applied to the Hartree-Fock method. Although the reverse-…
cond-mat.mtrl-sci2019★ 6 cited
Optimization of heterogeneous ternary Li3PO4-Li3BO3-Li2SO4 mixture for Li-ion conductivity by machine learning
Kenji Homma, Yu Liu, Masato Sumita +5
Mixing heterogeneous Li-ion conductive materials is one of potential ways to enhance the Li-ion conductivity more than that of the parent materials. However, the development of the…
cond-mat.mtrl-sci2019★ 8 cited
Leveraging Legacy Data to Accelerate Materials Design via Preference Learning
Xiaolin Sun, Zhufeng Hou, Masato Sumita +3
Machine learning applications in materials science are often hampered by shortage of experimental data. Integration with legacy data from past experiments is a viable way to solve…