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Nike Dattani
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OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
7462019
General approach to quantum dynamics using a variational master equation: Application to phonon-damped Rabi rotations in quantum dots
DPS McCutcheon, NS Dattani, EM Gauger, BW Lovett, A Nazir
Physical Review B 84 (11), 119903, 2011
1632011
Accurate analytic potentials for Li2(X-state) and Li2(A-state) from 2 to 90 Ĺ, and the radiative lifetime of Li(2p)
RJ Le Roy, NS Dattani, JA Coxon, AJ Ross, P Crozet, C Linton
The Journal of Chemical Physics 131 (20), 204309, 2009
140*2009
Why quantum coherence is not important in the Fenna-Matthews-Olsen Complex
DM Wilkins, NS Dattani
Journal of Chemical Theory and Computation 11 (7), 3411–3419, 2015
1182015
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations
Z Li, J Li, NS Dattani, CJ Umrigar, GK Chan
The Journal of chemical physics 150 (2), 2019
922019
Quantum factorization of 56153 with only 4 qubits
NS Dattani, N Bryans
arXiv preprint arXiv:1411.6758, 2014
912014
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
K Guther, RJ Anderson, NS Blunt, NA Bogdanov, D Cleland, N Dattani, ...
The Journal of chemical physics 153 (3), 2020
832020
Pegasus: The second connectivity graph for large-scale quantum annealing hardware
N Dattani, S Szalay, N Chancellor
arXiv preprint arXiv:1901.07636, 2019
732019
Optimal representation of the bath response function & fast calculation of influence functional coefficients in open quantum systems with bathfit 1
NS Dattani, DM Wilkins, FA Pollock
arXiv preprint arXiv:1205.4651, 2012
72*2012
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023
692023
Numerical Feynman integrals with physically inspired interpolation: Faster convergence and significant reduction of computational cost
NS Dattani
AIP advances 2 (1), 2012
62*2012
The GW miracle in many-body perturbation theory for the ionization potential of molecules
F Bruneval, N Dattani, MJ van Setten
Frontiers in chemistry 9, 749779, 2021
492021
A DPF data analysis yields accurate analytic potentials for Li2(a-state) and Li2(c-state) that incorporate 3-state mixing near the c-state asymptote
NS Dattani, RJ Le Roy
Journal of Molecular Spectroscopy, 2011
49*2011
Quadratization in discrete optimization and quantum mechanics
N Dattani
arXiv preprint arXiv:1901.04405, 2019
482019
A DPF data analysis yields accurate analytic potentials for Li (a Σ) and Li (1 Σ) that incorporate 3-state mixing near the state asymptote
NS Dattani, RJ Le Roy
Journal of Molecular Spectroscopy 268, 199-210, 2011
46*2011
High-resolution photoassociation spectroscopy of the 6Li2 1 Σ state
M Semczuk, X Li, W Gunton, M Haw, NS Dattani, J Witz, AK Mills, ...
Physical Review A 87 (5), 052505, 2013
452013
Mapping the space of genomic signatures
L Kari, KA Hill, AS Sayem, R Karamichalis, N Bryans, K Davis, NS Dattani
PloS one 10 (5), e0119815, 2015
402015
Towards a feasible implementation of quantum neural networks using quantum dots
MV Altaisky, NN Zolnikova, NE Kaputkina, VA Krylov, YE Lozovik, ...
Applied Physics Letters 108 (10), 2016
382016
An investigation into inter-and intragenomic variations of graphic genomic signatures
R Karamichalis, L Kari, S Konstantinidis, S Kopecki
BMC bioinformatics 16, 1-22, 2015
382015
On the empirical dipole polarizability of He from spectroscopy of HeH+
NS Dattani, M Puchalski
arXiv preprint arXiv:1410.4895, 2014
32*2014
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Articles 1–20