Alex Thom
University of Cambridge
H-index: 24
Europe-United Kingdom
Top articles of Alex Thom
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Translational eigenstates of He@ C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression | The Journal of Chemical Physics | K Panchagnula D Graf FEA Albertani AJW Thom | 2024/3/14 |
Rapidly convergent coupled-cluster Monte Carlo using a Chebyshev projector | arXiv preprint arXiv:2402.16685 | Zijun Zhao Maria-Andreea Filip Alex JW Thom | 2024/2/26 |
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States | arXiv e-prints | Lila Cadi Tazi Alex JW Thom | 2023/5 |
Global descriptors of a water molecule for machine learning of potential energy surfaces | arXiv preprint arXiv:2301.03853 | Fabio EA Albertani Alex JW Thom | 2023/1/10 |
Studies on the Transcorrelated Method | Journal of Chemical Theory and Computation | Nicholas Lee Alex J. W. Thom | 2023/8/28 |
Optimised Morse transform of a Gaussian process feature space | arXiv preprint arXiv:2301.02172 | Fabio EA Albertani Alex JW Thom | 2023/1/5 |
Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory | Journal of Chemical Theory and Computation | Daniel Graf Alex J. W. Thom | 2023/7/31 |
The density and pressure of helium nano-bubbles encapsulated in silicon | Proceedings of the Royal Society A | NC Pyper AJW Thom Colm T Whelan | 2023/7/26 |
Optimised Baranyai partitioning of the second quantised Hamiltonian | arXiv preprint arXiv:2311.11826 | Bence Csakany Alex JW Thom | 2023/11/20 |
A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems | The Journal of Chemical Physics | Maria-Andreea Filip Alex JW Thom | 2023/5/14 |
Corrected density functional theory and the random phase approximation: Improved accuracy at little extra cost | The Journal of Chemical Physics | Daniel Graf Alex JW Thom | 2023/11/7 |
Non-unitary Trotter circuits for imaginary time evolution | arXiv preprint arXiv:2304.07917 | Chiara Leadbeater Nathan Fitzpatrick David Muñoz Ramo Alex JW Thom | 2023/4/16 |
Exploring the parameter space of an endohedral atom in a cylindrical cavity | Journal of Chemical Physics | Kripa Panchagnula Alex J. W. Thom | 2023/10/28 |
Insight into the Gd–Pt Bond: Slow Magnetic Relaxation of a Heterometallic Gd–Pt Complex | Bulletin of the Chemical Society of Japan | Takefumi Yoshida Ahmed Shabana Haitao Zhang David Chukwuma Izuogu Tetsu Sato | 2022/3/15 |
Localized Spin Rotations: A Size-Consistent Approach to Nonorthogonal Configuration Interaction | Journal of Chemical Theory and Computation | Nicholas Lee Alex JW Thom | 2022/1/10 |
Modified noise kernels in Gaussian process modelling of energy surfaces | arXiv preprint arXiv:2212.14699 | Fabio EA Albertani Alex JW Thom | 2022/12/30 |
Trade-Off between Redox Potential and the Strength of Electrochemical CO2 Capture in Quinones | The Journal of Physical Chemistry C | Anna T Bui Niamh A Hartley Alex JW Thom Alexander C Forse | 2022/8/12 |
Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening | Physical Review Research | Maria-Andreea Filip Nathan Fitzpatrick David Muñoz Ramo Alex JW Thom | 2022/6/27 |
Making the most of data: Quantum Monte Carlo postanalysis revisited | Physical Review E | Tom Ichibha Verena A Neufeld Kenta Hongo Ryo Maezono Alex JW Thom | 2022/4/19 |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package | Evgeny Epifanovsky Andrew TB Gilbert Xintian Feng Joonho Lee Yuezhi Mao | 2021/8/28 |
Co-Authors
