Follow
Ioan-Bogdan Magdău
Ioan-Bogdan Magdău
Lecturer in Computational and Data-driven Chemistry, Newcastle University
Verified email at newcastle.ac.uk - Homepage
Title
Cited by
Cited by
Year
A novel series of isoreticular metal organic frameworks: realizing metastable structures by liquid phase epitaxy
J Liu, B Lukose, O Shekhah, HK Arslan, P Weidler, H Gliemann, S Bräse, ...
Scientific reports 2, 2012
2522012
Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics
IB Magdău, GJ Ackland
Physical Review B 87 (17), 174110, 2013
702013
Dihexyl-substituted poly (3, 4-propylenedioxythiophene) as a dual ionic and electronic conductive cathode binder for lithium-ion batteries
P Das, B Zayat, Q Wei, CZ Salamat, IB Magdau, R Elizalde-Segovia, ...
Chemistry of Materials 32 (21), 9176-9189, 2020
502020
Phonon localization by mass disorder in dense hydrogen-deuterium binary alloy
RT Howie, IB Magdău, AF Goncharov, GJ Ackland, E Gregoryanz
Physical review letters 113 (17), 175501, 2014
492014
Li+ and Oxidant Addition To Control Ionic and Electronic Conduction in Ionic Liquid-Functionalized Conjugated Polymers
D Rawlings, D Lee, J Kim, IB Magdau, G Pace, PM Richardson, ...
Chemistry of Materials 33 (16), 6464-6474, 2021
202021
Infrared Peak Splitting from Phonon Localization in Solid Hydrogen
IB Magdău, GJ Ackland
Phys. Rev. Lett. 118 (14), 145701, 2017
182017
A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ...
arXiv preprint arXiv:2401.00096, 2023
172023
The piezoelectronic stress transduction switch for very large-scale integration, low voltage sensor computation, and radio frequency applications
IB Magdău, XH Liu, MA Kuroda, TM Shaw, J Crain, PM Solomon, ...
Applied Physics Letters 107 (7), 2015
172015
Sum-frequency signals in 2D-terahertz-terahertz-Raman spectroscopy
G Mead, HW Lin, IB Magdau, TF Miller III, GA Blake
The Journal of Physical Chemistry B 124 (40), 8904-8908, 2020
162020
Simple thermodynamic model for the hydrogen phase diagram
IB Magdău, M Marqués, B Borgulya, GJ Ackland
Physical Review B 95 (9), 094107, 2017
162017
Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen
GJ Ackland, IB Magdău
Cogent Physics 2 (1), 1049477, 2015
142015
High temperature Raman analysis of hydrogen phase IV from molecular dynamics
IB Magdǎu, GJ Ackland
Journal of Physics: Conference Series 500 (3), 032012, 2014
142014
Machine learning solvation environments in conductive polymers: Application to ProDOT-2hex with solvent swelling
IB Magdau, TF Miller III
Macromolecules 54 (7), 3377-3387, 2021
132021
Interpretation of the THz-THz-Raman spectrum of bromoform
IB Magdau, GJ Mead, GA Blake, TF Miller III
The Journal of Physical Chemistry A 123 (33), 7278-7287, 2019
122019
Machine learning force fields for molecular liquids: Ethylene Carbonate/Ethyl Methyl Carbonate binary solvent
IB Magdău, DJ Arismendi-Arrieta, HE Smith, CP Grey, K Hermansson, ...
npj Computational Materials 9 (1), 146, 2023
10*2023
Quantitative Rotational to Librational Transition in Dense H2 and D2
M Peña-Alvarez, V Afonina, P Dalladay-Simpson, XD Liu, RT Howie, ...
The Journal of Physical Chemistry Letters 11 (16), 6626-6631, 2020
102020
Beam dynamics feasibility study for an RFQ sub-harmonic pre-buncher at REX-ISOLDE
IB Magdau, M Fraser
102013
Mace-off23: Transferable machine learning force fields for organic molecules
DP Kovács, JH Moore, NJ Browning, I Batatia, JT Horton, V Kapil, ...
arXiv preprint arXiv:2312.15211, 2023
92023
Raman signal from a hindered hydrogen rotor
PIC Cooke, IB Magdău, M Pena-Alvarez, V Afonina, P Dalladay-Simpson, ...
Phys. Rev. B 102, 064102, 2020
82020
Efficacious calculation of raman spectra in high pressure hydrogen
GJ Ackland, IB Magdau
High Pressure Research 34 (2), 198-204, 2014
82014
The system can't perform the operation now. Try again later.
Articles 1–20