PySCF: the Python‐based simulations of chemistry framework von Sun, Qiming, Berkelbach, Timothy C., Blunt, Nick S., Booth, George H., Guo, Sheng, Li, Zhendong, Liu, Junzi, McClain, James D., Sayfutyarova, Elvira R., Sharma, Sandeep, Wouters, Sebastian, Chan, Garnet Kin‐Lic

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Quantum Algorithms for Quantum Chemistry and Quantum Materials Science von Bauer, Bela, Bravyi, Sergey, Motta, Mario, Kin-Lic Chan, Garnet

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Low communication high performance ab initio density matrix renormalization group algorithms von Zhai, Huanchen, Chan, Garnet Kin-Lic

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The density matrix renormalization group in quantum chemistry von Chan, Garnet Kin-Lic, Sharma, Sandeep

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Spin-adapted density matrix renormalization group algorithms for quantum chemistry von Sharma, Sandeep, Chan, Garnet Kin-Lic

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Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations von Li, Zhendong, Guo, Sheng, Sun, Qiming, Chan, Garnet Kin-Lic

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Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm von Nakatani, Naoki, Chan, Garnet Kin-Lic

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Exact parameterization of fermionic wave functions via unitary coupled cluster theory von Evangelista, Francesco A., Chan, Garnet Kin-Lic, Scuseria, Gustavo E.

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Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution von Motta, Mario, Sun, Chong, Tan, Adrian T. K., O’Rourke, Matthew J., Ye, Erika, Minnich, Austin J., Brandão, Fernando G. S. L., Chan, Garnet Kin-Lic

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Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics von Sharma, Sandeep, Sivalingam, Kantharuban, Neese, Frank, Chan, Garnet Kin-Lic

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The Chromium Dimer: Closing a Chapter of Quantum Chemistry von Larsson, Henrik R., Zhai, Huanchen, Umrigar, C. J., Chan, Garnet Kin-Lic

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Low-Depth Quantum Simulation of Materials von Babbush, Ryan, Wiebe, Nathan, McClean, Jarrod, McClain, James, Neven, Hartmut, Chan, Garnet Kin-Lic

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Exact relationships between the GW approximation and equation-of-motion coupled-cluster theories through the quasi-boson formalism von Tölle, Johannes, Kin-Lic Chan, Garnet

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Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids von McClain, James, Sun, Qiming, Chan, Garnet Kin-Lic, Berkelbach, Timothy C

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Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms von Chan, Garnet Kin-Lic, Keselman, Anna, Nakatani, Naoki, Li, Zhendong, White, Steven R.

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The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations von Li, Zhendong, Li, Junhao, Dattani, Nikesh S., Umrigar, C. J., Chan, Garnet Kin-Lic

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Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals von Sayfutyarova, Elvira R, Sun, Qiming, Chan, Garnet Kin-Lic, Knizia, Gerald

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Stripe order in the underdoped region of the two-dimensional Hubbard model von Zheng, Bo-Xiao, Chung, Chia-Min, Corboz, Philippe, Ehlers, Georg, Qin, Ming-Pu, Noack, Reinhard M., Shi, Hao, White, Steven R., Zhang, Shiwei, Chan, Garnet Kin-Lic

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Variational Power of Quantum Circuit Tensor Networks von Haghshenas, Reza, Gray, Johnnie, Potter, Andrew C., Chan, Garnet Kin-Lic

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Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy von Yang, Jun, Hu, Weifeng, Usvyat, Denis, Matthews, Devin, Schütz, Martin, Chan, Garnet Kin-Lic

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