Publications by authors named "Garnet Kin-Lic Chan"

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A
Accurate Crystal Field Hamiltonians of Single-Ion Magnets at Mean-Field Cost.
Linqing Peng, Shuanglong Liu, Xing Zhang, Xiao Chen, Chenghan Li, Garnet Kin-Lic Chan

J Phys Chem Lett· November 2025

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General Quantum Alchemical Free Energy Simulations via Hamiltonian Interpolation.
Chenghan Li, Xing Zhang, Garnet Kin-Lic Chan

J Chem Theory Comput· July 2025

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Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable Framework.
Divya Suman, Jigyasa Nigam, Sandra Saade, Paolo Pegolo, Hanna Türk, Garnet Kin-Lic Chan

J Chem Theory Comput· July 2025

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A 54.6 GHz Clock Transition in Ho Electron Spin Qubits Assembled into a Metal-Organic Framework.
Miguel Gakiya-Teruya, Robert Stewart, Linqing Peng, Shuanglong Liu, Chenghan Li, Garnet Kin-Lic Chan

J Am Chem Soc· July 2025

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Quantum many-body linear algebra, Hamiltonian moments, and a coupled-cluster inspired framework.
Yuhang Ai, Huanchen Zhai, Johannes Tölle, Garnet Kin-Lic Chan

J Chem Phys· July 2025

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Accurate Simulation of the Hubbard Model with Finite Fermionic Projected Entangled Pair States.
Wen-Yuan Liu, Huanchen Zhai, Ruojing Peng, Zheng-Cheng Gu, Garnet Kin-Lic Chan

Phys Rev Lett· June 2025

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Image super-resolution inspired electron density prediction.
Chenghan Li, Or Sharir, Shunyue Yuan, Garnet Kin-Lic Chan

Nat Commun· May 2025

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Simulating quantum circuit expectation values by Clifford perturbation theory.
Tomislav Begušić, Kasra Hejazi, Garnet Kin-Lic Chan

J Chem Phys· April 2025

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Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals.
Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan, Timothy C Berkelbach, Hong-Zhou Ye

J Chem Theory Comput· March 2025

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Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework.
Rui Li, Qiming Sun, Xing Zhang, Garnet Kin-Lic Chan

J Phys Chem A· February 2025

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Ab initio quantum many-body description of superconducting trends in the cuprates.
Zhi-Hao Cui, Junjie Yang, Johannes Tölle, Hong-Zhou Ye, Shunyue Yuan, Garnet Kin-Lic Chan

Nat Commun· February 2025

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Accurate QM/MM Molecular Dynamics for Periodic Systems in GPU4PySCF with Applications to Enzyme Catalysis.
Chenghan Li, Garnet Kin-Lic Chan

J Chem Theory Comput· January 2025

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Tensor Network Computations That Capture Strict Variationality, Volume Law Behavior, and the Efficient Representation of Neural Network States.
Wen-Yuan Liu, Si-Jing Du, Ruojing Peng, Johnnie Gray, Garnet Kin-Lic Chan

Phys Rev Lett· December 2024

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Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage.
Garnet Kin-Lic Chan

Faraday Discuss· November 2024

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Correlation in extended systems: general discussion.
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, George H Booth, Garnet Kin-Lic Chan

Faraday Discuss· November 2024

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Stochastic and low-scaling techniques: general discussion.
Ali Alavi, Marcus Allen, Kemal Atalar, Timothy C Berkelbach, George H Booth, Garnet Kin-Lic Chan

Faraday Discuss· November 2024

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Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function.
Leopoldo Mejía, Sandeep Sharma, Roi Baer, Garnet Kin-Lic Chan, Eran Rabani

J Chem Theory Comput· September 2024

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Benchmarking the exponential ansatz for the Holstein model.
Junjie Yang, Zhi-Hao Cui, Ankit Mahajan, Huanchen Zhai, David R Reichman, Garnet Kin-Lic Chan

J Chem Phys· September 2024

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Correlation functions from tensor network influence functionals: The case of the spin-boson model.
Haimi Nguyen, Nathan Ng, Lachlan P Lindoy, Gunhee Park, Andrew J Millis, Garnet Kin-Lic Chan

J Chem Phys· September 2024

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Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics.
Xing Zhang, Chenghan Li, Hong-Zhou Ye, Timothy C Berkelbach, Garnet Kin-Lic Chan

J Chem Phys· July 2024

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AB-G0W0: A practical G0W0 method without frequency integration based on an auxiliary boson expansion.
Johannes Tölle, Garnet Kin-Lic Chan

J Chem Phys· April 2024

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Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance.
Tomislav Begušić, Johnnie Gray, Garnet Kin-Lic Chan

Sci Adv· January 2024

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Fermionic Reduced Density Low-Rank Matrix Completion, Noise Filtering, and Measurement Reduction in Quantum Simulations.
Linqing Peng, Xing Zhang, Garnet Kin-Lic Chan

J Chem Theory Comput· December 2023

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Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond.
Huanchen Zhai, Henrik R Larsson, Seunghoon Lee, Zhi-Hao Cui, Tianyu Zhu, Garnet Kin-Lic Chan

J Chem Phys· December 2023

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Quantum harmonic free energies for biomolecules and nanomaterials.
Alec F White, Chenghan Li, Xing Zhang, Garnet Kin-Lic Chan

Nat Comput Sci· April 2023

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