标题
Conceptual Inorganic Materials Discovery - A Road Map
作者
关键词
-
出版物
ADVANCED MATERIALS
Volume 27, Issue 21, Pages 3229-3242
出版商
Wiley
发表日期
2015-04-20
DOI
10.1002/adma.201500143
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Structure Prediction for PbS and ZnO at Different Pressures and Visualization of the Energy Landscapes
- (2016) D. Zagorac et al. ACTA PHYSICA POLONICA A
- Computational prediction and characterization of single-layer CrS2
- (2014) Houlong L. Zhuang et al. APPLIED PHYSICS LETTERS
- Ab initiostudy of AlN: Anisotropic thermal expansion, phase diagram, and high-temperature rocksalt to wurtzite phase transition
- (2014) Steve Schmerler et al. PHYSICAL REVIEW B
- The energy landscape concept and its implications for synthesis planning
- (2014) Martin Jansen PURE AND APPLIED CHEMISTRY
- The high-throughput highway to computational materials design
- (2013) Stefano Curtarolo et al. NATURE MATERIALS
- Density functional theory in materials science
- (2013) Jörg Neugebauer et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
- (2013) Anubhav Jain et al. APL Materials
- Structure prediction and energy landscape exploration in the zinc oxide system
- (2013) Dejan Zagorac et al. Processing and Application of Ceramics
- Ab Initio-Based Prediction of Phase Diagrams: Application to Magnetic Shape Memory Alloys
- (2012) Tilmann Hickel et al. ADVANCED ENGINEERING MATERIALS
- Materials Discovery by Flux Crystal Growth: Quaternary and Higher Order Oxides
- (2012) Daniel E. Bugaris et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Structural transformation and vibrational properties of BaC2at high pressure
- (2012) I. Efthimiopoulos et al. PHYSICAL REVIEW B
- How Evolutionary Crystal Structure Prediction Works—and Why
- (2011) Artem R. Oganov et al. ACCOUNTS OF CHEMICAL RESEARCH
- High-pressure experimental study on Rb2S: antifluorite to Ni2In-type phase transitions
- (2011) David Santamaria-Perez et al. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
- Ab Initio Energy Landscape of GeF2: A System Featuring Lone Pair Structure Candidates
- (2011) Klaus Doll et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- A Universal Representation of the States of Chemical Matter Including Metastable Configurations in Phase Diagrams
- (2011) Martin Jansen et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- In-Situ Monitoring of the Formation of Crystalline Solids
- (2011) Nicole Pienack et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Opportunities and challenges for first-principles materials design and applications to Li battery materials
- (2011) Gerbrand Ceder MRS BULLETIN
- Addressing chemical diversity by employing the energy landscape concept
- (2010) Martin Jansen et al. ACTA CRYSTALLOGRAPHICA SECTION A
- THE EVOLUTION OF HTS: Tc-EXPERIMENT PERSPECTIVES
- (2010) C. W. Chu INTERNATIONAL JOURNAL OF MODERN PHYSICS B
- Global Exploration of the Enthalpy Landscape of Calcium Carbide
- (2010) A. Kulkarni et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Ab initio prediction of low-temperature phase diagrams in the Al–Ga–In–As system, MAs–M′As (M, M′ = Al, Ga or In) and AlAs–GaAs–InAs, via the global study of energy landscapes
- (2010) Ilya V. Pentin et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ab initioprediction of low-temperature parts of the phase diagram for theMSb-M′Sb(M, M′=Al, Ga, or In) and AlSb-GaSb-InSb systems
- (2010) I. V. Pentin et al. PHYSICAL REVIEW B
- A Temperature-dependent Structural Study ofanti-ReO3-type Na3N: to Distort or not to Distort?
- (2010) Grigori V. Vajenine et al. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
- Rational Synthesis and Characterization of a New Family of Low Thermal Conductivity Misfit Layer Compounds [(PbSe)0.99]m(WSe2)n†
- (2009) Qiyin Lin et al. CHEMISTRY OF MATERIALS
- Prediction, determination and validation of phase diagrams via the global study of energy landscapes
- (2009) J. C. Schön et al. International Journal of Materials Research
- Predicting solid compounds via global exploration of the energy landscape of solids on theab initiolevel without recourse to experimental information
- (2009) J. Christian Schön et al. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Structural phase transitions of sodium nitride at high pressure
- (2009) G. V. Vajenine et al. PHYSICAL REVIEW B
- Experimental Substantiation of the “Energy Landscape Concept” for Solids: Synthesis of a New Modification of LiBr
- (2008) Yvonne Liebold-Ribeiro et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Stability of Alkali Metal Halide Polymorphs as a Function of Pressure
- (2008) Željko P. Čančarević et al. Chemistry-An Asian Journal
- Free enthalpy landscape of SrO
- (2008) J. C. Schön et al. JOURNAL OF CHEMICAL PHYSICS
- Predictions of effective physical properties of complex multiphase materials
- (2008) M WANG et al. MATERIALS SCIENCE & ENGINEERING R-REPORTS
- Crystal structure prediction from first principles
- (2008) Scott M. Woodley et al. NATURE MATERIALS
- Structure prediction based onab initiosimulated annealing for boron nitride
- (2008) K. Doll et al. PHYSICAL REVIEW B
- First-Principles Prediction of a Ground State Crystal Structure of Magnesium Borohydride
- (2008) V. Ozolins et al. PHYSICAL REVIEW LETTERS
- Ab initio prediction of the low-temperature phase diagrams in the systems MBr–MCl (M=Li, Na, K)
- (2007) J.C. Schön et al. SOLID STATE SCIENCES
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started