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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 Discuss
(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)
Translational eigenstates of He@C$_{60}$ from four-dimensional
\textit{ab initio} Potential Energy Surfaces interpolated using Gaussian
Process Regression
(2024)
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.
– J Chem Theory Comput
(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.
– Journal of Chemical Theory and Computation
(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: Mathematical, Physical and Engineering Sciences
(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)
Folded Spectrum VQE : A quantum computing method for the calculation of
molecular excited states
(2023)