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          Institute: MPI für Eisenforschung GmbH     Collection: Computational Materials Design     Display Documents


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Entries: 1-10  
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Computational coarse-graining in configuration space as basis for a predictive ab initio thermodynamics
Authors: Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-12-09
Name of Conference/Meeting: EPSRC Symposium
Place of Conference/Meeting: Warwick, London, UK
Document Type: Talk at Event
ID: 671121.0
Strong and weak magnetic coupling in chromium
Authors: Körmann, F.; Grabowski, B.; Palumbo, M.; Fries, S. G.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-11-11
Name of Conference/Meeting: ICAMS Advanced Discussions - Current Developments
Place of Conference/Meeting: Veranstaltungszentrum Ruhr-Universität Bochum, Germany
Document Type: Talk at Event
ID: 671104.0
First principles at finite temperatures: New approaches and massively parallel computations
Authors: Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-10-22
Name of Conference/Meeting: IMR Seminar
Place of Conference/Meeting: Institute for Materials Research, Tohoku University, Sendai, Japan
Document Type: Talk at Event
ID: 671112.0
First principles at finite temperatures: New approaches and massively parallel computations
Authors: Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-10-21
Name of Conference/Meeting: CMSI International Symposium 2013: Extending the power of computational materials sciences with K-computer
Place of Conference/Meeting: Ito International Research Center, University of Tokyo, Japan
Document Type: Talk at Event
ID: 671111.0
Band offsets at zincblende-wurtzite GaAs nanowire sidewall surfaces
Authors: Capiod, P.; Xu, T.; Nys, J. P.; Berthe, M.; Patriarche, G.; Lymperakis, L.; Neugebauer, J.; Caroff, P.; Dunin-Borkowski, R. E.; Ebert, P.; Grandidier, B.
Date of Publication (YYYY-MM-DD): 2013-09-18
Title of Journal: Applied Physics Letters
Volume: 103
Issue / Number: Applied Physics Letters
Start Page: 122104-1
End Page: 122104-4
Document Type: Article
ID: 671095.0
Ab initio based multiscale modeling of structural materials: From a predictive thermodynamic description to tailored mechanical properties
Authors: Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-09-09
Name of Conference/Meeting: CECAM Conference
Place of Conference/Meeting: Platja d’Aro, Spain
Document Type: Talk at Event
ID: 670890.0
Ab initio based thermodynamics of and phase transformations in Ti alloys
Authors: Grabowski, B.; Huang, L.; Korbmacher, D.; Glensk, A.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-09-09
Name of Conference/Meeting: EUROMAT Conference
Place of Conference/Meeting: Sevilla, Spain
Document Type: Talk at Event
ID: 671110.0
kappa-carbides as precipitates in austenitic steels: Ab initio study of structural, magnetic and Interface properties
Authors: Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-09-08
Name of Conference/Meeting: EUROMAT 2013
Place of Conference/Meeting: Sevilla, Spain
Document Type: Talk at Event
ID: 671114.0
Ab-initio investigation of layered alloys: a roadmap for improved magneto-caloric effect
Authors: Dutta, B.; Hickel, T.; Neugebauer, J.; Hütten, A.
(Start) Date of Event
(YYYY-MM-DD):
 2013-09-08
Name of Conference/Meeting: EUROMAT 2013
Document Type: Poster
ID: 671120.0
Ab-initio based prediction of chemical trends for phase transitions in magnetic shape memory alloys
Authors: Dutta, B.; Körmann, F.; Dey, P.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD):
 2013-08-27
Name of Conference/Meeting: Weekly Seminar
Place of Conference/Meeting: Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, Germany
Document Type: Talk at Event
ID: 671119.0
Entries: 1-10  
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