Sub-system quantum dynamics using coupled cluster downfolding techniques von Kowalski, Karol, Bauman, Nicholas P.

Volltext

Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms von Bauman, Nicholas P., Bylaska, Eric J., Krishnamoorthy, Sriram, Low, Guang Hao, Wiebe, Nathan, Granade, Christopher E., Roetteler, Martin, Troyer, Matthias, Kowalski, Karol

Volltext

Index of multi-determinantal and multi-reference character in coupled-cluster theory von Bartlett, Rodney J., Park, Young Choon, Bauman, Nicholas P., Melnichuk, Ann, Ranasinghe, Duminda, Ravi, Moneesha, Perera, Ajith

Volltext

Fock-Space Schrieffer–Wolff Transformation: Classically-Assisted Rank-Reduced Quantum Phase Estimation Algorithm von Kowalski, Karol, Bauman, Nicholas P.

Volltext

Quantum Flow Algorithms for Simulating Many-Body Systems on Quantum Computers von Kowalski, Karol, Bauman, Nicholas P.

Volltext

Variational quantum eigensolver for approximate diagonalization of downfolded Hamiltonians using generalized unitary coupled cluster ansatz von Nicholas P, Bauman, Chládek, Jaroslav, Veis, Libor, Pittner, Jiří, Karol, Kowalski

Volltext

Coupled cluster downfolding methods: The effect of double commutator terms on the accuracy of ground-state energies von Bauman, Nicholas P., Kowalski, Karol

Volltext

The Cobalt–Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations von Kozlowski, Pawel M, Kumar, Manoj, Piecuch, Piotr, Li, Wei, Bauman, Nicholas P, Hansen, Jared A, Lodowski, Piotr, Jaworska, Maria

Volltext

Coupled Cluster Downfolding Theory: towards universal many-body algorithms for dimensionality reduction of composite quantum systems in chemistry and materials science von Bauman, Nicholas P., Kowalski, Karol

Volltext

The accuracies of effective interactions in downfolding coupled-cluster approaches for small-dimensionality active spaces von Kowalski, Karol, Peng, Bo, Bauman, Nicholas P.

Volltext

Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and the Double Unitary Coupled-Cluster Approach von Metcalf, Mekena, Bauman, Nicholas P, Kowalski, Karol, de Jong, Wibe A

Volltext

Improving the accuracy and efficiency of quantum connected moments expansions von Claudino, Daniel, Peng, Bo, Bauman, Nicholas P, Kowalski, Karol, Humble, Travis S

Volltext

Quantum simulations of excited states with active-space downfolded Hamiltonians von Bauman, Nicholas P., Low, Guang Hao, Kowalski, Karol

Volltext

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations von Bylaska, Eric J, Song, Duo, Bauman, Nicholas P, Kowalski, Karol, Claudino, Daniel, Humble, Travis S

Volltext

Forecasting operating profitability with DuPont analysis: Further evidence von P. Bauman, Mark

Volltext

Real-time inference of stochastic damage in composite materials von Prudencio, E.E., Bauman, P.T., Williams, S.V., Faghihi, D., Ravi-Chandar, K., Oden, J.T.

Volltext

Periodic plane-wave electronic structure calculations on quantum computers von Song, Duo, Bauman, Nicholas P., Prawiroatmodjo, Guen, Peng, Bo, Granade, Cassandra, Rosso, Kevin M., Low, Guang Hao, Roetteler, Martin, Kowalski, Karol, Bylaska, Eric J.

Volltext

A computational framework for dynamic data-driven material damage control, based on Bayesian inference and model selection von Prudencio, E. E., Bauman, P. T., Faghihi, D., Ravi-Chandar, K., Oden, J. T.

Volltext

Publisher’s Note: “Sub-system quantum dynamics using coupled cluster downfolding techniques” [J. Chem. Phys. 152, 244127 (2020)] von Kowalski, Karol, Bauman, Nicholas P.

Volltext

Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer von Magoulas, Ilias, Bauman, Nicholas P., Shen, Jun, Piecuch, Piotr

Volltext