Robert A. Lang
Robert A. Lang
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Pennylane: Automatic differentiation of hybrid quantum-classical computations
V Bergholm, J Izaac, M Schuld, C Gogolin, MS Alam, S Ahmed, ...
arXiv preprint arXiv:1811.04968, 2018
Unitary partitioning approach to the measurement problem in the variational quantum eigensolver method
AF Izmaylov, TC Yen, RA Lang, V Verteletskyi
J. Chem. Theory Comput. 16 (1), 190-195, 2020
Iterative Qubit Coupled Cluster approach with efficient screening of generators
IG Ryabinkin, RA Lang, SN Genin, AF Izmaylov
J. Chem. Theory Comput. 16 (2), 1055-1063, 2020
On the order problem in construction of unitary operators for the Variational Quantum Eigensolver
AF Izmaylov, M Díaz-Tinoco, RA Lang
Phys. Chem. Chem. Phys. 22, 12980-12986, 2020
Exact and approximate symmetry projectors for the electronic structure problem on a quantum computer
TC Yen, RA Lang, AF Izmaylov
J. Chem. Phys. 151 (16), 164111, 2019
Unitary transformation of the electronic Hamiltonian with an exact quadratic truncation of the Baker-Campbell-Hausdorff expansion
RA Lang, IG Ryabinkin, AF Izmaylov
J. Chem. Theory Comput. 17 (1), 66-78, 2021
Analytic gradients in variational quantum algorithms: Algebraic extensions of the parameter-shift rule to general unitary transformations
AF Izmaylov, RA Lang, TC Yen
arXiv:2107.08131, 2021
General formalism for vibronic Hamiltonians in tetragonal symmetry and beyond
RJ Hickman, RA Lang, T Zeng
Phys. Chem. Chem. Phys. 20 (17), 12312-12322, 2018
Differentiable quantum computational chemistry with PennyLane
JM Arrazola, S Jahangiri, A Delgado, J Ceroni, J Izaac, A Száva, U Azad, ...
arXiv:2111.09967, 2021
General formalism of vibronic Hamiltonians for tetrahedral and octahedral systems: Problems that involve A-type states and a-type vibrations
RA Lang, A Japahuge, T Zeng
Chem. Phys. 515, 36-45, 2018
Unified Hamiltonian formalism of Jahn–Teller and pseudo-Jahn–Teller problems in axial symmetries
J Brown, RA Lang, T Zeng
J. Chem. Theory Comput. 17 (7), 4392–4402, 2021
VHEGEN: A vibronic Hamiltonian expansion generator for trigonal and tetragonal polyatomic systems
RA Lang, RJ Hickman, T Zeng
Comput. Phys. Commun. 247, 106946, 2020
Growth reduction of similarity transformed electronic Hamiltonians in qubit space
RA Lang, A Ganeshram, AF Izmaylov
arXiv:2210.03875, 2022
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