Thermodynamic properties of the Nd-Bi system via emf measurements, DFT calculations, machine learning, and CALPHAD modeling

Thermodynamic properties of rare‐earth alloys by electrochemical emf measurements

(2021) Timothy Lichtenstein et al.   JOURNAL OF MATERIALS RESEARCH

Electrochemical Separation of Alkaline-Earth Elements from Molten Salts Using Liquid Metal Electrodes

(2020) Thomas P. Nigl et al.   ACS Sustainable Chemistry & Engineering

ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu–Mg

(2019) Brandon Bocklund et al.   MRS Communications

Quantified uncertainty in thermodynamic modeling for materials design

(2019) Noah H. Paulson et al.   ACTA MATERIALIA

Yet again, new compounds found in systems with known binary phase diagrams. Synthesis, crystal and electronic structure of Nd3Bi7 and Sm3Bi7

(2018) Alexander Ovchinnikov et al.   CHEMICAL COMMUNICATIONS

Electrodeposition of Neodymium from NdCl 3 -Containing Eutectic LiCl–KCl Melts Investigated Using Voltammetry and Diffusion-Reaction Modeling

(2017) Dai Shen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

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

(2015) Scott Kirklin et al.   npj Computational Materials

Unexpected Stable Stoichiometries of Sodium Chlorides

(2013) W. Zhang et al.   SCIENCE

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Liquid Metal Batteries: Past, Present, and Future

(2012) Hojong Kim et al.   CHEMICAL REVIEWS

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

Electrochemical behavior of neodymium compounds in molten chlorides

(2012) A. Novoselova et al.   ELECTROCHIMICA ACTA

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

(2011) Saulius Gražulis et al.   NUCLEIC ACIDS RESEARCH

Thermodynamic assessments of the Bi–Nd and Bi–Tm systems

(2010) C.P. Wang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al

(2009) Shun-Li Shang et al.   COMPUTATIONAL MATERIALS SCIENCE

Crystallography Open Database – an open-access collection of crystal structures

(2009) Saulius Gražulis et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

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

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