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- Currently displaying 61 - 80 of 106 publications
General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction.
Journal of chemical theory and computation
(2019)
15
4851
(doi: 10.1021/acs.jctc.9b00441)
Using SCF metadynamics to extend density matrix embedding theory to excited states
Journal of Chemical Physics
(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)
General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction.
J Chem Theory Comput
(2019)
15
4851
(doi: 10.26434/chemrxiv.8089307)
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.
J Phys Chem Lett
(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
J Chem Phys
(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
Journal of chemical theory and computation
(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)
