Articoli con mandati relativi all'accesso pubblico - Erich A. MullerUlteriori informazioni
Non disponibili pubblicamente: 13
Force fields for coarse-grained molecular simulations from a corresponding states correlation
A Mejía, C Herdes, EA Müller
Industrial & Engineering Chemistry Research 53 (10), 4131-4141, 2014
Mandati: UK Engineering and Physical Sciences Research Council
Bottled SAFT: A web app providing SAFT-γ Mie force field parameters for thousands of molecular fluids
Å Ervik, A Mejia, EA Muller
Journal of chemical information and modeling 56 (9), 1609-1614, 2016
Mandati: UK Engineering and Physical Sciences Research Council, Research Council of …
Physical insights into the blood–brain barrier translocation mechanisms
PE Theodorakis, EA Müller, RV Craster, OK Matar
Physical biology 14 (4), 041001, 2017
Mandati: UK Engineering and Physical Sciences Research Council, European Commission
SGTPy: A Python code for calculating the interfacial properties of fluids based on the square gradient theory using the SAFT-VR Mie equation of state
A Mejía, EA Muller, G Chaparro Maldonado
Journal of Chemical Information and Modeling 61 (3), 1244-1250, 2021
Mandati: UK Engineering and Physical Sciences Research Council
Aggregation behavior of model asphaltenes revealed from large-scale coarse-grained molecular simulations
G Jiménez-Serratos, TS Totton, G Jackson, EA Müller
The Journal of Physical Chemistry B 123 (10), 2380-2396, 2019
Mandati: UK Engineering and Physical Sciences Research Council
Aspects of asphaltene aggregation obtained from coarse-grained molecular modeling
JF Jover, EA Müller, AJ Haslam, A Galindo, G Jackson, H Toulhoat, ...
Energy & Fuels 29 (2), 556-566, 2015
Mandati: UK Engineering and Physical Sciences Research Council
raaSAFT: A framework enabling coarse-grained molecular dynamics simulations based on the SAFT-γ Mie force field
Å Ervik, GJ Serratos, EA Müller
Computer Physics Communications 212, 161-179, 2017
Mandati: UK Engineering and Physical Sciences Research Council, Research Council of …
Extension of the effective solid-fluid Steele potential for Mie force fields
G Jiménez-Serratos, H Cárdenas, EA Müller
Molecular Physics 117 (23-24), 3840-3851, 2019
Mandati: UK Engineering and Physical Sciences Research Council
Phase equilibria and interfacial properties of selected methane+ n-alkane binary mixtures
A Mejia, M Cartes, G Chaparro, E Feria, FJ Blas, JM Míguez, J Algaba, ...
Journal of Molecular Liquids 341, 116918, 2021
Mandati: UK Engineering and Physical Sciences Research Council, Government of Spain
Extension of the SAFT-VR-Mie equation of state for adsorption
H Cárdenas, EA Müller
Journal of Molecular Liquids 294, 111639, 2019
Mandati: UK Engineering and Physical Sciences Research Council
A tensorial fundamental measure density functional theory for the description of adsorption in substrates of arbitrary three-dimensional geometry
T Bernet, EA Müller, G Jackson
The Journal of Chemical Physics 152 (22), 2020
Mandati: UK Engineering and Physical Sciences Research Council
Employing SAFT Coarse-Grained Force Fields for the Molecular Simulation of Thermodynamic and Transport Properties of CO2–n-Alkane Mixtures
L Zheng, F Bresme, JPM Trusler, EA Müller
Journal of Chemical & Engineering Data 65 (3), 1159-1171, 2019
Mandati: UK Engineering and Physical Sciences Research Council
Highly Selective Cu Staining of Sulfur-Containing Polymers Facilitates 3D Nanomorphology Reconstruction of Polymer: Fullerene Blends in Organic Solar Cells by FIB-SEM Tomography
Y Li, M Čalkovský, E Müller, C Sprau, A Colsmann, D Gerthsen
ACS Applied Materials & Interfaces 13 (44), 53252-53261, 2021
Mandati: German Research Foundation, Helmholtz Association
Disponibili pubblicamente: 85
Accurate statistical associating fluid theory for chain molecules formed from Mie segments
T Lafitte, A Apostolakou, C Avendaño, A Galindo, CS Adjiman, EA Müller, ...
The Journal of chemical physics 139 (15), 2013
Mandati: UK Engineering and Physical Sciences Research Council
Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments
V Papaioannou, T Lafitte, C Avendaño, CS Adjiman, G Jackson, ...
The Journal of chemical physics 140 (5), 2014
Mandati: UK Engineering and Physical Sciences Research Council
Simulation of asphaltene aggregation through molecular dynamics: Insights and limitations
TF Headen, ES Boek, G Jackson, TS Totton, EA Müller
Energy & Fuels 31 (2), 1108-1125, 2017
Mandati: UK Engineering and Physical Sciences Research Council
Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations
EA Müller, G Jackson
Annual review of chemical and biomolecular engineering 5, 405-427, 2014
Mandati: UK Engineering and Physical Sciences Research Council
Machine learning potentials for complex aqueous systems made simple
C Schran, FL Thiemann, P Rowe, EA Müller, O Marsalek, A Michaelides
Proceedings of the National Academy of Sciences 118 (38), e2110077118, 2021
Mandati: UK Engineering and Physical Sciences Research Council
Optimizing water transport through graphene-based membranes: insights from nonequilibrium molecular dynamics
J Muscatello, F Jaeger, OK Matar, EA Müller
ACS applied materials & interfaces 8 (19), 12330-12336, 2016
Mandati: UK Engineering and Physical Sciences Research Council
Coarse grained force field for the molecular simulation of natural gases and condensates
C Herdes, TS Totton, EA Müller
Fluid Phase Equilibria 406, 91-100, 2015
Mandati: UK Engineering and Physical Sciences Research Council
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