Computer-Assisted Inverse Design of Inorganic Electrides

Water Durable Electride Y5Si3: Electronic Structure and Catalytic Activity for Ammonia Synthesis

(2016) Yangfan Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-Pressure Electrides: The Chemical Nature of Interstitial Quasiatoms

(2015) Mao-sheng Miao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Superconductivity in room-temperature stable electride and high-pressure phases of alkali metals

(2015) H. Hosono et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Two dimensional inorganic electride-promoted electron transfer efficiency in transfer hydrogenation of alkynes and alkenes

(2015) Ye Ji Kim et al.   Chemical Science

High Pressure Electrides: A Predictive Chemical and Physical Theory

(2014) Mao-Sheng Miao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Two-Dimensional Transition-Metal Electride Y2C

(2014) Xiao Zhang et al.   CHEMISTRY OF MATERIALS

High-Throughput ab Initio Screening for Two-Dimensional Electride Materials

(2014) Tomofumi Tada et al.   INORGANIC CHEMISTRY

The metallization and superconductivity of dense hydrogen sulfide

(2014) Yinwei Li et al.   JOURNAL OF CHEMICAL PHYSICS

Obtaining Two-Dimensional Electron Gas in Free Space without Resorting to Electron Doping: An Electride Based Design

(2014) Songtao Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reactions of xenon with iron and nickel are predicted in the Earth's inner core

(2014) Li Zhu et al.   Nature Chemistry

Exploration for Two-Dimensional Electrides via Database Screening andAb InitioCalculation

(2014) Takeshi Inoshita et al.   Physical Review X

Inorganic Materials Database for Exploring the Nature of Material

(2013) Yibin Xu et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

First-principles structural design of superhard materials

(2013) Xinxin Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Dicalcium nitride as a two-dimensional electride with an anionic electron layer

(2013) Kimoon Lee et al.   NATURE

Electron excess in alkaline earth sub-nitrides: 2D electron gas or 3D electride?

(2013) Aron Walsh et al.   Journal of Materials Chemistry C

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm

(2012) Yanchao Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Particle-swarm structure prediction on clusters

(2012) Jian Lv et al.   JOURNAL OF CHEMICAL PHYSICS

Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store

(2012) Masaaki Kitano et al.   Nature Chemistry

Superconductive sodalite-like clathrate calcium hydride at high pressures

(2012) H. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Predicted Novel High-Pressure Phases of Lithium

(2011) Jian Lv et al.   PHYSICAL REVIEW LETTERS

Crystal Structures and Exotic Behavior of Magnesium under Pressure

(2010) Peifang Li et al.   Journal of Physical Chemistry C

Aluminium at terapascal pressures

(2010) Chris J. Pickard et al.   NATURE MATERIALS

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

Exotic behavior and crystal structures of calcium under pressure

(2010) Artem R. Oganov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electrides: Early Examples of Quantum Confinement

(2009) James L. Dye   ACCOUNTS OF CHEMICAL RESEARCH

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B