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- Currently displaying 1 - 20 of 90 publications
On the characteristics of helium filled nano-pores in amorphous silicon thin films
Applied Surface Science
(2024)
683
161772
(doi: 10.1016/j.apsusc.2024.161772)
Rapidly convergent quantum Monte Carlo using a Chebyshev projector.
Faraday discussions
(2024)
254
429
(doi: 10.1039/D4FD00035H)
Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: Translational eigenstates of Ne@C70.
Journal of Chemical Physics
(2024)
161
054308
(doi: 10.1063/5.0223298)
Non-unitary Trotter circuits for imaginary time evolution
Quantum Science and Technology
(2024)
9
045007
(doi: 10.1088/2058-9565/ad53fb)
On the characteristics of helium filled nano-pores in amorphous silicon
thin films
(2024)
Targeting spectroscopic accuracy for dispersion bound systems from ab
initio techniques: translational eigenstates of Ne@C$_{70}$
(2024)
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States
Journal of chemical theory and computation
(2024)
20
2491
(doi: 10.1021/acs.jctc.3c01378)
Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression
The Journal of chemical physics
(2024)
160
104303
(doi: 10.1063/5.0197903)
Rapidly convergent quantum Monte Carlo using a Chebyshev projector
(2024)
Translational eigenstates of He@C$_{60}$ from four-dimensional
\textit{ab initio} Potential Energy Surfaces interpolated using Gaussian
Process Regression
(2024)
Optimised Baranyai partitioning of the second quantised Hamiltonian
(2023)
Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost
The Journal of chemical physics
(2023)
159
174106
(doi: 10.1063/5.0168569)
Exploring the parameter space of an endohedral atom in a cylindrical cavity
The Journal of chemical physics
(2023)
159
164308
(doi: 10.1063/5.0170010)
Studies on the Transcorrelated Method
Journal of Chemical Theory and Computation
(2023)
19
5743
(doi: 10.1021/acs.jctc.3c00046)
Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory
J Chem Theory Comput
(2023)
19
5427
(doi: 10.1021/acs.jctc.3c00441)
The density and pressure of helium nano-bubbles encapsulated in silicon
Proceedings of the Royal Society A
(2023)
479
20230081
(doi: 10.1098/rspa.2023.0081)
Corrected Density Functional Theory and the Random Phase Approximation:
Improved Accuracy at Little Extra Cost
(2023)
Exploring the parameter space of an endohedral atom in a cylindrical
cavity
(2023)
A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems
The Journal of chemical physics
(2023)
158
184101
(doi: 10.1063/5.0145767)
