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- Currently displaying 61 - 80 of 104 publications
Using SCF metadynamics to extend density matrix embedding theory to excited states
J Chem Phys
(2019)
151
034112
(doi: 10.1063/1.5096177)
Preconditioning and Perturbative Estimators in Full Configuration Interaction Quantum Monte Carlo.
Journal of Chemical Theory and Computation
(2019)
15
3537
(doi: 10.1021/acs.jctc.9b00049)
Parity-Time Symmetry in Hartree-Fock Theory
J Chem Theory Comput
(2019)
15
4374
(doi: 10.1021/acs.jctc.9b00289)
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
(2019)
(doi: 10.48550/arxiv.1905.02626)
Automated Acceleration of Dataflow-Oriented C Applications on FPGA-Based Systems
2019 27TH IEEE ANNUAL INTERNATIONAL SYMPOSIUM ON FIELD-PROGRAMMABLE CUSTOM COMPUTING MACHINES (FCCM)
(2019)
00
313
(doi: 10.1109/fccm.2019.00054)
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.
Journal of Chemical Theory and Computation
(2019)
15
1728
(doi: 10.1021/acs.jctc.8b01217)
Diagrammatic Coupled Cluster Monte Carlo.
The Journal of Physical Chemistry Letters
(2019)
10
925
(doi: 10.1021/acs.jpclett.9b00067)
Field‐programmable gate arrays and quantum Monte Carlo: Power efficient coprocessing for scalable high‐performance computing
International Journal of Quantum Chemistry
(2019)
119
e25853
(doi: 10.1002/qua.25853)
Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states.
The Journal of chemical physics
(2019)
150
041103
(doi: 10.1063/1.5085121)
Complex Adiabatic Connection: a Hidden Non-Hermitian Path from Ground to Excited States
(2019)
(doi: 10.48550/arxiv.1811.09164)
Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights
Journal of Chemical Theory and Computation
(2019)
15
127
(doi: 10.1021/acs.jctc.8b00844)
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
(2018)
(doi: 10.48550/arxiv.1811.11679)
Large scale parallelization in stochastic coupled cluster
The Journal of Chemical Physics
(2018)
149
204103
(doi: 10.1063/1.5047420)
Modeling Electron Transfers Using Quasidiabatic Hartree-Fock States
J Chem Theory Comput
(2018)
14
4629
(doi: 10.1021/acs.jctc.8b00379)
Field-Programmable Gate Arrays and Quantum Monte Carlo: Power Efficient Co-processing for Scalable High-Performance Computing
(2018)
(doi: 10.48550/arxiv.1808.02402)
Holomorphic Hartree–Fock Theory: The Nature of Two-Electron Problems
Journal of Chemical Theory and Computation
(2018)
14
607
(doi: 10.1021/acs.jctc.7b00980)
Holomorphic Hartree-Fock Theory: The Nature of Two-Electron Problems
(2018)
(doi: 10.48550/arxiv.1801.04141)
A study of the dense uniform electron gas with high orders of coupled cluster
The Journal of Chemical Physics
(2017)
147
194105
(doi: 10.1063/1.5003794)
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion
Journal of Chemical Physics
(2017)
147
124105
(doi: 10.1063/1.4991795)
