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Nature Materials
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July 18, 2006
Predicting crystal structure by merging data mining with quantum mechanics
Christopher C Fischer, Kevin J Tibbetts, Dane Morgan, et al.
The Journal of Chemical Physics
|
August 22, 2016
An efficient algorithm for finding the minimum energy path for cation migration in ionic materials
Ziqin Rong, Daniil Kitchaev, Pieremanuele Canepa, et al.
Physical Review Letters
|
December 9, 2017
Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides
Alexander Urban, Aziz Abdellahi, Stephen Dacek, et al.
Journal of the American Chemical Society
|
February 1, 2017
Thermodynamics of Phase Selection in MnO<sub>2</sub> Framework Structures through Alkali Intercalation and Hydration
Daniil A Kitchaev, Stephen T Dacek, Wenhao Sun, et al.
Materials Horizons
|
August 14, 2025
Crystal structure prediction with host-guided inpainting generation and foundation potentials
Peichen Zhong, Xinzhe Dai, Bowen Deng, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
January 20, 2025
Evaluating Material Design Principles for Calcium-Ion Mobility in Intercalation Cathodes
Jiyoon Kim, Dogancan Sari, Qian Chen, et al.
Nature Communications
|
August 14, 2013
Identification and design principles of low hole effective mass p-type transparent conducting oxides
Geoffroy Hautier, Anna Miglio, Gerbrand Ceder, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 6, 2015
Nucleation of metastable aragonite CaCO3 in seawater
Wenhao Sun, Saivenkataraman Jayaraman, Wei Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2015
Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study
Anubhav Jain, Geoffroy Hautier, Shyue Ping Ong, et al.
Science (New York, N.Y.)
|
February 18, 2006
Electrodes with high power and high capacity for rechargeable lithium batteries
Kisuk Kang, Ying Shirley Meng, Julien Bréger, et al.
Page
of 15
Search research articles
Search
Showing results (31-40 of 148) with videos related to
Sort By:
Page
of 15
Nature Materials
|
July 18, 2006
Predicting crystal structure by merging data mining with quantum mechanics
Christopher C Fischer, Kevin J Tibbetts, Dane Morgan, et al.
The Journal of Chemical Physics
|
August 22, 2016
An efficient algorithm for finding the minimum energy path for cation migration in ionic materials
Ziqin Rong, Daniil Kitchaev, Pieremanuele Canepa, et al.
Physical Review Letters
|
December 9, 2017
Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides
Alexander Urban, Aziz Abdellahi, Stephen Dacek, et al.
Journal of the American Chemical Society
|
February 1, 2017
Thermodynamics of Phase Selection in MnO<sub>2</sub> Framework Structures through Alkali Intercalation and Hydration
Daniil A Kitchaev, Stephen T Dacek, Wenhao Sun, et al.
Materials Horizons
|
August 14, 2025
Crystal structure prediction with host-guided inpainting generation and foundation potentials
Peichen Zhong, Xinzhe Dai, Bowen Deng, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
January 20, 2025
Evaluating Material Design Principles for Calcium-Ion Mobility in Intercalation Cathodes
Jiyoon Kim, Dogancan Sari, Qian Chen, et al.
Nature Communications
|
August 14, 2013
Identification and design principles of low hole effective mass p-type transparent conducting oxides
Geoffroy Hautier, Anna Miglio, Gerbrand Ceder, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
March 6, 2015
Nucleation of metastable aragonite CaCO3 in seawater
Wenhao Sun, Saivenkataraman Jayaraman, Wei Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2015
Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study
Anubhav Jain, Geoffroy Hautier, Shyue Ping Ong, et al.
Science (New York, N.Y.)
|
February 18, 2006
Electrodes with high power and high capacity for rechargeable lithium batteries
Kisuk Kang, Ying Shirley Meng, Julien Bréger, et al.
Page
of 15