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Phalgun Lolur
Phalgun Lolur
Senior Quantum Applications Engineer, National Quantum Computing Centre, UK Research and Innovation
Verified email at stfc.ac.uk
Title
Cited by
Cited by
Year
Communication: An accurate global potential energy surface for the ground electronic state of ozone
R Dawes, P Lolur, A Li, B Jiang, H Guo
The Journal of Chemical Physics 139 (20), 2013
1242013
Communication: Highly accurate ozone formation potential and implications for kinetics
R Dawes, P Lolur, J Ma, H Guo
The Journal of chemical physics 135 (8), 2011
1022011
3D printing of molecular potential energy surface models
P Lolur, R Dawes
Journal of Chemical Education 91 (8), 1181-1184, 2014
552014
Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers
P Lolur, M Rahm, M Skogh, L García-Álvarez, G Wendin
AIP Conference Proceedings 2362 (1), 2021
192021
Spectroscopy and dynamics of the predissociated, quasi-linear S2 state of chlorocarbene
C Tao, CA Richmond, C Mukarakate, SH Kable, GB Bacskay, EC Brown, ...
The Journal of Chemical Physics 137 (10), 2012
152012
Towards a global model of spin-orbit coupling in the halocarbenes
S Nyambo, C Karshenas, SA Reid, P Lolur, R Dawes
The Journal of Chemical Physics 142 (21), 2015
142015
Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry
P Lolur, M Skogh, W Dobrautz, C Warren, J Biznárová, A Osman, ...
Journal of Chemical Theory and Computation 19 (3), 783-789, 2023
132023
H2 Generation from H2O and H2S through an Iodine Cycle
RJ Gillis, P Lolur, WH Green
ACS Sustainable Chemistry & Engineering 7 (7), 7369-7377, 2019
52019
A Density Functional Theory for the Average Electron Energy
S Racioppi, P Lolur, P Hyldgaard, M Rahm
Journal of Chemical Theory and Computation 19 (3), 799-807, 2023
42023
Accelerating variational quantum eigensolver convergence using parameter transfer
M Skogh, O Leinonen, P Lolur, M Rahm
Electronic Structure 5 (3), 035002, 2023
22023
Theoretical study of vibronic perturbations in magnesium carbide
P Lolur, R Dawes, MC Heaven
Molecular Physics 114 (2), 162-171, 2016
22016
Benchmarking the performance of variational quantum eigensolvers (VQE) applied to the HCN molecule.
G Wendin, A Tranter, D Muńoz Ramo, R Duncan, P Lolur, M Skogh, ...
APS March Meeting Abstracts 2022, B01. 010, 2022
12022
The electron density: a fidelity witness for quantum computation
M Skogh, W Dobrautz, P Lolur, C Warren, J Biznárová, A Osman, ...
Chemical Science 15 (6), 2257-2265, 2024
2024
Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry
W Dobrautz, P Lolur, M Skogh, C Warren, J Biznárová, A Osman, ...
APS March Meeting Abstracts 2023, G00. 292, 2023
2023
A Physical Expression of Electrons in Density Functional Theory
S Racioppi, P Lolur, P Hyldgaard, M Rahm
2022
Reference-state Error Mitigation: A Chemistry Inspired Strategy for Improving Molecular Energy Evaluations on NISQ Devices
P Lolur, M Skogh, M Rahm
APS March Meeting Abstracts 2022, Z36. 008, 2022
2022
H₂ Generation from H₂O and H₂S through an Iodine Cycle
RJ Gillis, P Lolur, WH Green
ACS sustainable chemistry & engineering 7 (7), 2019
2019
H2 generation from H2S via an iodine thermochemical cycle
R Gillis, P Lolur, W Green
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Alternative hydrogen generation process from hydrogen sulfide through an iodine based thermo-chemical cycle
P Lolur, R Gillis, W Green
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Thiohypoiodous Acid (HSI) Formation and Its Role As an Intermediate in H2 Production
P Lolur, RJ Gillis, W Green
2017 AIChE Annual Meeting, 2017
2017
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Articles 1–20