PapersPreprints and manuscripts
A unified variational framework for the inverse Kohn–Sham problem.
Nan Sheng. arXiv:2603.23452, 2026. [arXiv]
Exact density-functional theory as parallel ensemble variational hierarchies: from Lieb's formulation to Kohn–Sham theory.
Nan Sheng. arXiv:2603.23399, 2026. [arXiv]
AinsteinBench: Benchmarking coding agents on scientific repositories.
Titouan Duston, Shuo Xin, Yang Sun, Daoguang Zan, Aoyan Li, Shulin Xin, Kai Shen, Yixiao Chen, Qiming Sun, Nan Sheng, Ge Zhang, et al. arXiv:2512.21373, 2025.
Approximation of high-dimensional Gibbs distributions with functional hierarchical tensors.
Nan Sheng, Xun Tang, Haoxuan Chen, and Lexing Ying. arXiv:2501.17143, 2025. [arXiv] Journal articles
Solving high-dimensional Hamilton-Jacobi-Bellman equations with functional hierarchical tensor.
Xun Tang, Nan Sheng, and Lexing Ying. To appear in SIAM Journal on Scientific Computing, 2025. [arXiv]
Low-rank Green's function representations applied to dynamical mean-field theory.
Nan Sheng, Alexander Hampel, Sophie Beck, Olivier Parcollet, Nils Wentzell, Jason Kaye, and Kun Chen. Physical Review B 107, 245123, 2023.
Quantum simulations of Fermionic Hamiltonians with efficient encoding and ansatz schemes.
Benchen Huang, Nan Sheng, Marco Govoni, and Giulia Galli. Journal of Chemical Theory and Computation 19, 1487--1498, 2023.
Quantum embedding theories to simulate condensed systems on quantum computers.
Christian Vorwerk, Nan Sheng, Marco Govoni, Benchen Huang, and Giulia Galli. Nature Computational Science 2, 424--432, 2022.
Green's function formulation of quantum defect embedding theory.
Nan Sheng, Christian Vorwerk, Marco Govoni, and Giulia Galli. Journal of Chemical Theory and Computation 18, 3512--3522, 2022.
Quantum embedding theory for strongly correlated states in materials.
He Ma, Nan Sheng, Marco Govoni, and Giulia Galli. Journal of Chemical Theory and Computation 17, 2116--2125, 2021.
First-principles studies of strongly correlated states in defect spin qubits in diamond.
He Ma, Nan Sheng, Marco Govoni, and Giulia Galli. Physical Chemistry Chemical Physics 22, 25522--25527, 2020. |