Ioan-Bogdan Magdău

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Graeme AcklandUniversity of Edinburgh確認したメールアドレス: ed.ac.uk
Thomas MillerCalifornia Institute of Technology確認したメールアドレス: caltech.edu
Ross T HowieCentre for Science at Extreme Conditions, The University of Edinburgh確認したメールアドレス: ed.ac.uk
Gabor CsanyiProfessor of Molecular Modelling, Engineering Laboratory, University of Cambridge確認したメールアドレス: cam.ac.uk
Josh HortonUniversity of Newcastle PhD確認したメールアドレス: newcastle.ac.uk
Ilyes BatatiaPhD Student, University of Cambridge確認したメールアドレス: cam.ac.uk
Venkat KapilLecturer (Assistant Professor), Department of Physics & Astronomy, University College London確認したメールアドレス: ucl.ac.uk
Dávid Péter KovácsGraduate Student, University of Cambridge確認したメールアドレス: cam.ac.uk
Rachel SegalmanEdward Noble Kramer Professor of Materials, UCSB確認したメールアドレス: ucsb.edu
Dakota RawlingsUniversity of California, Santa Barbara確認したメールアドレス: ucsb.edu
Eugene GregoryanzProfessor of Physics at Extreme Conditions確認したメールアドレス: ed.ac.uk
Thomas HeineProfessor of Theoretical Chemistry確認したメールアドレス: tu-dresden.de
Osama ShekhahGroup leader KAUST確認したメールアドレス: kaust.edu.sa
Christof WöllProfessor of Physical Chemistry, Director of Institute of Functional Interfaces, KIT Karlsruhe確認したメールアドレス: kit.edu
Jinxuan LiuProfessor, State Key Laboratory of Fine Chemicals, Dalian University of Technology確認したメールアドレス: dlut.edu.cn
Binit LukoseBoston University, USA; Cornell University, USA; Jacobs University Bremen, Germany確認したメールアドレス: bu.edu
Stefan BräseProfessor of Organic Chemistry, Karlsruhe Institute of Technology (KIT)確認したメールアドレス: kit.edu
Xinliang FENGTechnical University Dresden & Max Planck Institute of Microstructure Physics確認したメールアドレス: tu-dresden.de
Dr. Hartmut GliemannInstutue of Functional Interfaces (IFG), Karlsruhe Institute of Technology (KIT)確認したメールアドレス: kit.edu
Peter I. C. CookePostdoctoral Research Associate, University of Cambridge確認したメールアドレス: sms.ed.ac.uk

フォロー

Ioan-Bogdan Magdău

Lecturer in Computational and Data-driven Chemistry, Newcastle University

確認したメールアドレス: newcastle.ac.uk - ホームページ

Theory and Computation Machine Learning Physical Chemistry


タイトル引用回数順公開年順タイトル順	引用先引用先	年
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	268	2012
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	164	2023
Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics IB Magdău, GJ Ackland Physical Review B—Condensed Matter and Materials Physics 87 (17), 174110, 2013	73	2013
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	65	2020
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	56	2014
MACE-OFF23: Transferable machine learning force fields for organic molecules DP Kovács, JH Moore, NJ Browning, I Batatia, JT Horton, V Kapil, WC Witt, ... arXiv preprint arXiv:2312.15211, 2023	54	2023
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	29*	2023
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	21	2021
Infrared Peak Splitting from Phonon Localization in Solid Hydrogen IB Magdău, GJ Ackland Phys. Rev. Lett. 118 (14), 145701, 2017	21	2017
A foundation model for atomistic materials chemistry, 2024 I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 0	20
MACE-OFF23: Transferable Machine Learning Force Fields for Organic Molecules (2023) DP Kovács, JH Moore, NJ Browning, I Batatia, JT Horton, V Kapil, WC Witt, ... arXiv preprint arXiv:2312.15211, 0	20
Simple thermodynamic model for the hydrogen phase diagram IB Magdău, M Marqués, B Borgulya, GJ Ackland Physical Review B 95 (9), 094107, 2017	19	2017
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	19	2015
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	18	2020
Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen GJ Ackland, IB Magdău Cogent Physics 2 (1), 1049477, 2015	16	2015
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	15	2021
High temperature Raman analysis of hydrogen phase IV from molecular dynamics IB Magdǎu, GJ Ackland Journal of Physics: Conference Series 500 (3), 032012, 2014	14	2014
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	13	2020
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	12	2019
Beam dynamics feasibility study for an RFQ sub-harmonic pre-buncher at REX-ISOLDE IB Magdau, M Fraser	10	2013

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