Prediction of new iodine-containing apatites using machine learning and density functional theory

Predicting the thermodynamic stability of perovskite oxides using machine learning models

(2018) Wei Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Machine learning for phase selection in multi-principal element alloys

(2018) Nusrat Islam et al.   COMPUTATIONAL MATERIALS SCIENCE

Synthesis and characterization of intrinsically radiolabeled lanthanide phosphate nanoparticles toward biomedical and environmental applications

(2018) M. Toro-González et al.   JOURNAL OF NANOPARTICLE RESEARCH

Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods

(2017) Fleur Legrain et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Wet chemical synthesis of apatite-based waste forms – A novel room temperature method for the immobilization of radioactive iodine

(2017) Charles Cao et al.   Journal of Materials Chemistry A

Materials and processes for the effective capture and immobilization of radioiodine: A review

(2016) Brian J. Riley et al.   JOURNAL OF NUCLEAR MATERIALS

Iodine immobilization: Development of solidification process for spent silver-sorbent using hot isostatic press technique

(2016) Kaoru Masuda et al.   PROGRESS IN NUCLEAR ENERGY

Finding New Perovskite Halides via Machine Learning

(2016) Ghanshyam Pilania et al.   Frontiers in Materials

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Pseudopotentials periodic table: From H to Pu

(2014) Andrea Dal Corso   COMPUTATIONAL MATERIALS SCIENCE

Bulk Iodoapatite Ceramic Densified by Spark Plasma Sintering with Exceptional Thermal Stability

(2014) Tiankai Yao et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Electronically driven structural transitions inA10(PO4)6F2apatites (A= Ca, Sr, Pb, Cd and Hg)

(2014) Prasanna V. Balachandran et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

Structure maps forAI4AII6(BO4)6X2apatite compoundsviadata mining

(2012) Prasanna V. Balachandran et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Rapid synthesis of Pb5(VO4)3I, for the immobilisation of iodine radioisotopes, by microwave dielectric heating

(2011) M.C. Stennett et al.   JOURNAL OF NUCLEAR MATERIALS

Identifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning

(2011) P. V. Balachandran et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Isomorphous Substitutions of Rare Earth Elements for Calcium in Synthetic Hydroxyapatites

(2010) Lyudmyla I. Ardanova et al.   INORGANIC CHEMISTRY

Novel Long-Term Immobilization Method for Radioactive Iodine-129 Using a Zeolite/Apatite Composite Sintered Body

(2009) Yujiro Watanabe et al.   ACS Applied Materials & Interfaces

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Sr, Ba and Cd arsenates with the apatite-type structure

(2008) Tamara Đordević et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS