1.2k citations · 1.6k across the 14 of their papers we have counts for
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Quantum harmonic free energies for biomolecules and nanomaterials
Alec F. White, Chenghan Li, Xing Zhang +1
Obtaining the free energy of large molecules from quantum mechanical energy functions is a longstanding challenge. We describe a method that allows us to estimate, at the quantum m…
Conservation laws in coupled cluster dynamics at finite-temperature
Ruojing Peng, Alec F. White, Huanchen Zhai +1
We extend the finite-temperature Keldysh non-equilibrium coupled cluster theory (Keldysh-CC) [{\it J. Chem. Theory Comput.} \textbf{2019}, 15, 6137-6253] to include a time-dependen…
The Fermionic Quantum Emulator
Nicholas C. Rubin, Klaas Gunst, Alec White +5
The fermionic quantum emulator (FQE) is a collection of protocols for emulating quantum dynamics of fermions efficiently taking advantage of common symmetries present in chemical,…