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Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 4, 2016
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics
Elia Schneider, Leslie Vogt, Mark E Tuckerman
Physical Review Letters
|
January 11, 2020
Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
Jutta Rogal, Elia Schneider, Mark E Tuckerman
The Journal of Physical Chemistry. B
|
April 11, 2020
Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables
Joseph R Cendagorta, Jocelyn Tolpin, Elia Schneider, et al.
Physical Review Letters
|
October 28, 2017
Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces
Elia Schneider, Luke Dai, Robert Q Topper, et al.
The Journal of Chemical Physics
|
August 24, 2018
Endpoint-restricted adiabatic free energy dynamics approach for the exploration of biomolecular conformational equilibria
Michel A Cuendet, Daniel T Margul, Elia Schneider, et al.
International Journal of Molecular Sciences
|
April 15, 2020
Directing Stem Cell Commitment by Amorphous Calcium Phosphate Nanoparticles Incorporated in PLGA: Relevance of the Free Calcium Ion Concentration
Olivier Gröninger, Samuel Hess, Dirk Mohn, et al.
Chemical Science
|
September 30, 2017
Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
Alexander G Shtukenberg, Qiang Zhu, Damien J Carter, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 4, 2016
Report on the sixth blind test of organic crystal structure prediction methods
Anthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 4, 2016
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics
Elia Schneider, Leslie Vogt, Mark E Tuckerman
Physical Review Letters
|
January 11, 2020
Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
Jutta Rogal, Elia Schneider, Mark E Tuckerman
The Journal of Physical Chemistry. B
|
April 11, 2020
Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables
Joseph R Cendagorta, Jocelyn Tolpin, Elia Schneider, et al.
Physical Review Letters
|
October 28, 2017
Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces
Elia Schneider, Luke Dai, Robert Q Topper, et al.
The Journal of Chemical Physics
|
August 24, 2018
Endpoint-restricted adiabatic free energy dynamics approach for the exploration of biomolecular conformational equilibria
Michel A Cuendet, Daniel T Margul, Elia Schneider, et al.
International Journal of Molecular Sciences
|
April 15, 2020
Directing Stem Cell Commitment by Amorphous Calcium Phosphate Nanoparticles Incorporated in PLGA: Relevance of the Free Calcium Ion Concentration
Olivier Gröninger, Samuel Hess, Dirk Mohn, et al.
Chemical Science
|
September 30, 2017
Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
Alexander G Shtukenberg, Qiang Zhu, Damien J Carter, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 4, 2016
Report on the sixth blind test of organic crystal structure prediction methods
Anthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.
Page
of 1