D4FT: A Deep Learning Approach to Kohn-Sham Density Functional Theory. - Tianbo Li; Min Lin; Zheyuan Hu 002; Kunhao Zheng; Giovanni Vignale; Kenji Kawaguchi; A. H. Castro Neto; Kostya S. Novoselov; Shuicheng Yan (ICLR, 2023)

Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory. - Tianbo Li; Min Lin; Stephen Dale; Zekun Shi; A. H. Castro Neto; Kostya S. Novoselov; Giovanni Vignale (CoRR, 2024)

Constructing custom thermodynamics using deep learning. - Xiaoli Chen; Beatrice W. Soh; Zi-En Ooi; Eléonore Vissol-Gaudin; Haijun Yu; Kostya S. Novoselov; Kedar Hippalgaonkar; Qianxiao Li (Nat. Comput. Sci., 2024)

Robotization of Synthesis and Analysis Process of Graphene Oxide-Based Membrane. - Aleksei V. Meshkov; Anna A. Nikitina; Timur A. Aliev; Vladislav S. Gromov; Siyu Chen; Kou Yang; Qian Wang; Kostya S. Novoselov; Daria V. Andreeva; Ekaterina V. Skorb (Adv. Intell. Syst., 2024)