Publications (28)
ToxiEval-ZKP: A Structure-Private Verification Framework for Molecular Toxicity Repair Tasks
Fei Lin, Tengchao Zhang, Ziyang Gong +1
In recent years, generative artificial intelligence (GenAI) has demonstrated remarkable capabilities in high-stakes domains such as molecular science. However, challenges related t…
Earth-Adapter: Bridge the Geospatial Domain Gaps with Mixture of Frequency Adaptation
Xiaoxing Hu, Ziyang Gong, Yupei Wang +8
Parameter-Efficient Fine-Tuning (PEFT) is a technique that allows us to adapt powerful Foundation Models (FMs) to diverse downstream tasks while preserving and unleashing their inh…
Electron Transport from Quantum Kinetic Monte Carlo Simulations
Fei Lin, Jianqiu Huang, Celine Hin
An exact Quantum Kinetic Monte Carlo method is proposed to calculate electron transport for 1D Fermi Hubbard model. The method is directly formulated in real time and can be applie…
Applications of Cluster Perturbation Theory Using Quantum Monte Carlo Data
Fei Lin, Erik S. Sorensen, Catherine Kallin +1
We study cluster perturbation theory [Phys. Rev. Lett. \textbf{84}, 522 (2000)] when auxiliary field quantum Monte Carlo method is used for solving the cluster hamiltonian. As a ca…
Single-particle Excitation Spectra of C Molecules and Monolayers
Fei Lin, Erik S. Sorensen, Catherine Kallin +1
In this paper we present calculations of single-particle excitation spectra of neutral and three-electron-doped Hubbard C molecules and monolayers from large-scale quantum M…
The superfluid-insulator transition in the disordered two-dimensional Bose-Hubbard model
Fei Lin, Erik S. Sørensen, D. M. Ceperley
We investigate the superfluid-insulator transition in the disordered two-dimensional Bose-Hubbard model through quantum Monte Carlo simulations. The Bose-Hubbard model is studied i…