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Jonathan E. Mueller
Jonathan E. Mueller
Senior researcher, Volkswagen AG
Bestätigte E-Mail-Adresse bei volkswagen.de
Titel
Zitiert von
Zitiert von
Jahr
Development and validation of ReaxFF reactive force field for hydrocarbon chemistry catalyzed by nickel
JE Mueller, ACT Van Duin, WA Goddard III
The Journal of Physical Chemistry C 114 (11), 4939-4949, 2010
4102010
Application of the ReaxFF reactive force field to reactive dynamics of hydrocarbon chemisorption and decomposition
JE Mueller, ACT Van Duin, WA Goddard III
The Journal of Physical Chemistry C 114 (12), 5675-5685, 2010
1922010
A porphyrin complex as a self‐conditioned electrode material for high‐performance energy storage
P Gao, Z Chen, Z Zhao‐Karger, JE Mueller, C Jung, S Klyatskaya, ...
Angewandte Chemie 129 (35), 10477-10482, 2017
1242017
A study of the magnetic transitions in CuO: specific heat (1-330 K), magnetic susceptibility and phonon density of states
A Junod, D Eckert, G Triscone, J Müller, W Reichardt
Journal of Physics: Condensed Matter 1 (43), 8021, 1989
1041989
Development of a ReaxFF potential for Pt–O systems describing the energetics and dynamics of Pt-oxide formation
D Fantauzzi, J Bandlow, L Sabo, JE Mueller, ACT van Duin, T Jacob
Physical Chemistry Chemical Physics 16 (42), 23118-23133, 2014
902014
Development of a ReaxFF reactive force field for aqueous chloride and copper chloride
O Rahaman, ACT Van Duin, VS Bryantsev, JE Mueller, SD Solares, ...
The Journal of Physical Chemistry A 114 (10), 3556-3568, 2010
792010
Structures, Energetics, and Reaction Barriers for CHx Bound to the Nickel (111) Surface
JE Mueller, ACT Van Duin, WA Goddard III
The Journal of Physical Chemistry C 113 (47), 20290-20306, 2009
722009
Growth of Stable Surface Oxides on Pt (111) at Near‐Ambient Pressures
D Fantauzzi, S Krick Calderón, JE Mueller, M Grabau, C Papp, ...
Angewandte Chemie International Edition 56 (10), 2594-2598, 2017
692017
Surface buckling and subsurface oxygen: atomistic insights into the surface oxidation of Pt (111)
D Fantauzzi, JE Mueller, L Sabo, ACT Van Duin, T Jacob
ChemPhysChem 16 (13), 2797-2802, 2015
672015
Specific heat, magnetic susceptibility and superconductivity of YBa2Cu3O7− δ doped with iron
A Junod, A Bezinge, D Eckert, T Graf, J Müller
Physica C: Superconductivity 152 (5), 495-504, 1988
651988
Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries
Z Zhao-Karger, JE Mueller, X Zhao, O Fuhr, T Jacob, M Fichtner
Rsc Advances 4 (51), 26924-26927, 2014
632014
Simulating key properties of lithium-ion batteries with a fault-tolerant quantum computer
A Delgado, PAM Casares, R Dos Reis, MS Zini, R Campos, ...
Physical Review A 106 (3), 032428, 2022
602022
Nickel cluster growth on defect sites of graphene: a computational study.
W Gao, JE Mueller, J Anton, Q Jiang, T Jacob
Angewandte Chemie International Edition 52 (52), 2013
542013
The Role of Co‐Adsorbed CO and OH in the Electrooxidation of Formic Acid on Pt (111)
W Gao, JE Mueller, Q Jiang, T Jacob
Angewandte Chemie International Edition 51 (37), 9448-9452, 2012
532012
ReaxFF reactive force-field modeling of the triple-phase boundary in a solid oxide fuel cell
BV Merinov, JE Mueller, ACT Van Duin, Q An, WA Goddard III
The journal of physical chemistry letters 5 (22), 4039-4043, 2014
512014
Competing, Coverage-Dependent Decomposition Pathways for C2Hy Species on Nickel (111)
JE Mueller, ACT Van Duin, WA Goddard III
The Journal of Physical Chemistry C 114 (47), 20028-20041, 2010
392010
Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis
JE Mueller, P Krtil, LA Kibler, T Jacob
Physical Chemistry Chemical Physics 16 (29), 15029-15042, 2014
382014
ReaxFF Monte Carlo reactive dynamics: Application to resolving the partial occupations of the M1 phase of the MoVNbTeO catalyst
WA Goddard III, JE Mueller, K Chenoweth, ACT Van Duin
Catalysis Today 157 (1-4), 71-76, 2010
342010
Initial state preparation for quantum chemistry on quantum computers
S Fomichev, K Hejazi, MS Zini, M Kiser, J Fraxanet, PAM Casares, ...
PRX Quantum 5 (4), 040339, 2024
252024
Structures, mechanisms, and kinetics of ammoxidation and selective oxidation of propane over the M2 phase of MoVNbTeO catalysts
WA Goddard, L Liu, JE Mueller, S Pudar, RJ Nielsen
Topics in Catalysis 54, 659-668, 2011
242011
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