scholarly journals Identification of synthesisable crystalline phases of water – a prototype for the challenges of computational materials design

CrystEngComm ◽  
2021 ◽  
Author(s):  
Edgar A. Engel
Keyword(s):  
Design Process ◽  
Building Blocks ◽  
Materials Design ◽  
Crystalline Phases ◽  
Computational Materials Design ◽  
Computational Materials

We discuss the identification of experimentally realisable crystalline phases of water to outline and contextualise some of the diverse building blocks of a computational materials design process.

Volunteer computing for computational materials design

2017 ◽  
Vol 38 (5) ◽  
pp. 926-930 ◽  
Author(s):  
N. Khrapov ◽  
V. Roizen ◽  
M. Posypkin ◽  
A. Samtsevich ◽  
A. R. Oganov
Keyword(s):  
Materials Design ◽  
Volunteer Computing ◽  
Computational Materials Design ◽  
Computational Materials

Computational materials design: recent advances and open challenges related to colorimetry

2020 ◽  
Vol 136 (6) ◽  
pp. 535-538
Author(s):  
Alain Trémeau ◽  
Philippe Colantoni ◽  
Mathieu Hébert
Keyword(s):  
Materials Design ◽  
Recent Advances ◽  
Computational Materials Design ◽  
Computational Materials

Computational materials design of filled tetrahedral compound magnetic semiconductors

2012 ◽  
Vol 407 (15) ◽  
pp. 2950-2953 ◽  
Author(s):  
K. Sato ◽  
S. Fujimoto ◽  
H. Fujii ◽  
T. Fukushima ◽  
H. Katayama-Yoshida
Keyword(s):  
Magnetic Semiconductors ◽  
Materials Design ◽  
Computational Materials Design ◽  
Computational Materials

scholarly journals Computational materials design of crystalline solids

2016 ◽  
Vol 45 (22) ◽  
pp. 6138-6146 ◽  
Author(s):  
Keith T. Butler ◽  
Jarvist M. Frost ◽  
Jonathan M. Skelton ◽  
Katrine L. Svane ◽  
Aron Walsh
Keyword(s):  
Functional Materials ◽  
Materials Design ◽  
Computational Techniques ◽  
Crystalline Solids ◽  
Recent Advances ◽  
Computational Materials Design ◽  
Computational Materials

Recent advances in the computational techniques and procedures for the design of functional materials are reviewed.

Sign in / Sign up

Export Citation Format

Share Document