List of works - Artem Oganov

A little bit of lithium does a lot for hydrogen

scientific article

A novel phase of beryllium fluoride at high pressure. ⬇️

scientific article published on 21 September 2015

A stable compound of helium and sodium at high pressure

scientific article (publication date: 6 February 2017)

Ab initio molecular dynamics study of CaSiO3 perovskite at P−T conditions of Earth’s lower mantle

scholarly article

Ab initio study of the high-pressure behavior of CaSiO3 perovskite

scholarly article

Ab initio thermodynamics of MgSiO3 perovskite at high pressures and temperatures

scientific article published on 01 March 2005

Alkali subhalides: high-pressure stability and interplay between metallic and ionic bonds

scientific article published on 01 January 2016

Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase

scientific article published in Nature

Antiferromagnetic Stabilization in the Ti8O12 Cluster.

scientific article published on 15 December 2015

BaC: a thermodynamically stable layered superconductor

scientific article published on 28 August 2014

Backbone NxH compounds at high pressures

Combined Theoretical and in Situ Scattering Strategies for Optimized Discovery and Recovery of High-Pressure Phases: A Case Study of the GaN-Nb2O5 System

scientific article published on 22 March 2016

Compressed carbon nanotubes: A family of new multifunctional carbon allotropes ⬇️

scientific article published on January 1, 2013

Computational mineral physics and the physical properties of perovskite.

scientific article published in November 2002

Computational prediction of new magnetic materials

scientific article published on 28 September 2022

Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure

scientific article published on 4 December 2017

Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications

scientific article published on 17 May 2012

Crystal fingerprint space--a novel paradigm for studying crystal-structure sets

scientific article published on 12 August 2010

Crystal structure prediction and its application in Earth and materials sciences.

scientific article published on January 2014

Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations

scientific article

Crystal structure prediction using ab initio evolutionary techniques: principles and applications

scientific article

Crystal structure prediction: reflections on present status and challenges

article

Crystal structure transformations in SiO2 from classical and ab initio metadynamics.

scientific article

Denser than diamond: Ab initio search for superdense carbon allotropes

scientific article (publication date: 26 May 2011)

Dissociation of methane under high pressure.

scientific article published on October 2010

Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences.

scientific article published on 19 May 2016

Effects of carbon vacancies on the structures, mechanical properties, and chemical bonding of zirconium carbides: a first-principles study

scientific article published on 18 April 2016

Effects of ferroelectric polarization on surface phase diagram: Evolutionary algorithm study of theBaTiO3(001) surface ⬇️

scholarly article in Physical Review B, vol. 92 no. 8, August 2015

Electride properties of ternary silicide and germanide of La and Ce

scientific article published on 24 February 2022

Electronic correlations in uranium hydride UH5 under pressure

scientific article published on 22 May 2020

Erratum to: “The high-pressure phase of boron, γ-B28: Disputes and conclusions of 5 years after discovery”

scholarly article

Erratum: Ionic high-pressure form of elemental boron

scientific article published in Nature

Evolutionary Crystal Structure Prediction and Novel High-Pressure Phases

Evolutionary crystal structure prediction as a tool in materials design

scientific article published on 24 January 2008

Evolutionary search for new high-k dielectric materials: methodology and applications to hafnia-based oxides

scientific article published on 9 January 2014

Exotic behavior and crystal structures of calcium under pressure

scientific article

First-principles determination of the structure of magnesium borohydride.

scientific article published on 10 December 2012

Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe2As2 under pressure

scientific article published on 27 May 2015

Formation of stoichiometric CsFn compounds

scientific article

Grain boundary phases in bcc metals.

scientific article published on 24 April 2018

High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

scientific article published on 03 February 2020

High-pressure crystal structures and superconductivity of Stannane (SnH4).

scientific article

How evolutionary crystal structure prediction works--and why.

scientific article published in March 2011

How to quantify energy landscapes of solids

scientific article published in March 2009

Hydrogen sulfide at high pressure: Change in stoichiometry

article by Alexander Goncharov et al published 10 May 2016 in Physical Review B

Investigation of exotic stable calcium carbides using theory and experiment.

scientific article published on 11 May 2015

Ionic high-pressure form of elemental boron

scientific article

Lattice dynamics of MgO at high pressure: theory and experiment

scientific article published on 26 January 2006

Mechanism of the fcc-to-hcp phase transformation in solid Ar.

scientific article published in June 2017

Mixed spin S = 1 and S = 1 2 layered lattice in Cu 2 F 5

scientific article published on 6 August 2021

New reconstructions of the (110) surface of rutile TiO2 predicted by an evolutionary method

scientific article published on 24 December 2014

Nitrogen oxides under pressure: stability, ionization, polymerization, and superconductivity.

scientific article

Novel Strongly Correlated Europium Superhydrides

scientific article published on 09 December 2020

Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction

scientific article published on 03 October 2019

Novel compounds in the Zr-O system, their crystal structures and mechanical properties

scientific article published in June 2015

Novel high pressure structures and superconductivity of CaLi2

scientific article published on 29 April 2010

Novel high pressure structures of polymeric nitrogen.

scientific article

Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle

scholarly article

Novel hydrogen hydrate structures under pressure

scientific article

Novel lithium-nitrogen compounds at ambient and high pressures

scientific article

Novel magnesium borides and their superconductivity

scientific article published on 23 May 2017

Novel stable compounds in the Mg–O system under high pressure

Novel structures and superconductivity of silane under pressure

scientific article published on 27 February 2009

Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations.

scientific article

Novel superhard B-C-O phases predicted from first principles

scientific article published on 21 December 2015

Novel two-dimensional boron oxynitride predicted using the USPEX evolutionary algorithm

scientific article published in 2021

Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones ⬇️

scientific article

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study

scientific article

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.

scientific article published on 15 May 2017

Predicting polymeric crystal structures by evolutionary algorithms. ⬇️

scientific article published on October 2014

Prediction and Synthesis of Dysprosium Hydride Phases at High Pressure

scientific article published on 30 March 2020

Prediction of a stable post-post-perovskite structure from first principles ⬇️

scholarly article in Physical Review B, vol. 91 no. 2, January 2015

Prediction of new thermodynamically stable aluminum oxides

scientific article

Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures

scientific article

Pressure-driven formation and stabilization of superconductive chromium hydrides

scientific article published on 2 December 2015

Pressure-induced stabilization and insulator-superconductor transition of BH

scientific article published on 19 April 2013

Rational design of all organic polymer dielectrics

scientific article published on 17 September 2014

Rational design of inorganic dielectric materials with expected permittivity

scientific article

Resorcinol Crystallization from the Melt: A New Ambient Phase and New "Riddles".

scientific article published on 17 March 2016

Search for stable cocrystals of energetic materials using the evolutionary algorithm USPEX

scientific article published on 14 July 2020

Stability of numerous novel potassium chlorides at high pressure

scientific article

Stability of xenon oxides at high pressures

scientific article

Stable magnesium peroxide at high pressure

scientific article published on September 2015

Structure, Stability, and Mechanical Properties of Boron-Rich Mo-B Phases: A Computational Study

scientific article published on 11 March 2020

Superconducting high pressure phase of germane

scientific article published on 03 September 2008

Superconducting praseodymium superhydrides

scientific article published on 29 February 2020

Superconductivity of lithium-doped hydrogen under high pressure.

scientific article published on 31 January 2014

Superconductivity of novel tin hydrides (Sn(n)H(m)) under pressure. ⬇️

scientific article published on 11 March 2016

Superhard Monoclinic Polymorph of Carbon

scientific article

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs.

scientific article

Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice

scientific article published on 01 October 2019

Synthesis of β-Mg(2)C(3): a monoclinic high-pressure polymorph of magnesium sesquicarbide

scientific article published on 13 June 2014

Tetrahedral honeycomb surface reconstructions of quartz, cristobalite and stishovite

scientific article published in Scientific Reports

The crystal structure and thermal expansion of the perovskite-type Nd0.75Sm0.25GaO3: powder diffraction and lattice dynamical studies

The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle

scientific article published on 01 June 2001

The high-pressure phase of alumina and implications for Earth's D'' layer

scientific article

The high-pressure phase of boron, γ-B28: Disputes and conclusions of 5 years after discovery

The performance of minima hopping and evolutionary algorithms for cluster structure prediction

scientific article published in April 2009

The phase diagram and hardness of carbon nitrides

scientific article published on 6 May 2015

Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer.

scientific article

Theoretical investigation of metastable Al2SiO5 polymorphs

scientific article published on 01 September 2001

Towards the theory of hardness of materials

article published in 2010

Transparent dense sodium

scientific article published in March 2009

Understanding the nature of "superhard graphite"

scientific article

Unexpected reconstruction of the α-boron (111) surface ⬇️

scientific article published on 21 October 2014

Unexpected stable phases of tungsten borides

scientific article published on 01 October 2018

Unexpected stable stoichiometries of sodium chlorides

scientific article

Uranium polyhydrides at moderate pressures: Prediction, synthesis, and expected superconductivity

scientific article published on 12 October 2018

Variable-composition structural optimization and experimental verification of MnB3 and MnB4.

scientific article published in August 2014

Weak Coulomb correlations stabilize the electride high-pressure phase of elemental calcium

scientific article published on 05 June 2020

d-AO spherical aromaticity in Ce6O8.

scientific article published on 18 August 2015

“Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons

scholarly article

List of works by Artem Oganov

A little bit of lithium does a lot for hydrogen

A novel phase of beryllium fluoride at high pressure. ⬇️

A stable compound of helium and sodium at high pressure

Ab initio molecular dynamics study of CaSiO3 perovskite at P−T conditions of Earth’s lower mantle

Ab initio study of the high-pressure behavior of CaSiO3 perovskite

Ab initio thermodynamics of MgSiO3 perovskite at high pressures and temperatures

Alkali subhalides: high-pressure stability and interplay between metallic and ionic bonds

Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase

Antiferromagnetic Stabilization in the Ti8O12 Cluster.

BaC: a thermodynamically stable layered superconductor

Backbone NxH compounds at high pressures

Combined Theoretical and in Situ Scattering Strategies for Optimized Discovery and Recovery of High-Pressure Phases: A Case Study of the GaN-Nb2O5 System

Compressed carbon nanotubes: A family of new multifunctional carbon allotropes ⬇️

Computational mineral physics and the physical properties of perovskite.

Computational prediction of new magnetic materials

Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure

Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications

Crystal fingerprint space--a novel paradigm for studying crystal-structure sets

Crystal structure prediction and its application in Earth and materials sciences.

Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations

Crystal structure prediction using ab initio evolutionary techniques: principles and applications

Crystal structure prediction: reflections on present status and challenges

Crystal structure transformations in SiO2 from classical and ab initio metadynamics.

Denser than diamond: Ab initio search for superdense carbon allotropes

Dissociation of methane under high pressure.

Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences.

Effects of carbon vacancies on the structures, mechanical properties, and chemical bonding of zirconium carbides: a first-principles study

Effects of ferroelectric polarization on surface phase diagram: Evolutionary algorithm study of theBaTiO3(001) surface ⬇️

Electride properties of ternary silicide and germanide of La and Ce

Electronic correlations in uranium hydride UH5 under pressure

Erratum to: “The high-pressure phase of boron, γ-B28: Disputes and conclusions of 5 years after discovery”

Erratum: Ionic high-pressure form of elemental boron

Evolutionary Crystal Structure Prediction and Novel High-Pressure Phases

Evolutionary crystal structure prediction as a tool in materials design

Evolutionary search for new high-k dielectric materials: methodology and applications to hafnia-based oxides

Exotic behavior and crystal structures of calcium under pressure

First-principles determination of the structure of magnesium borohydride.

Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe2As2 under pressure

Formation of stoichiometric CsFn compounds

Grain boundary phases in bcc metals.

High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

High-pressure crystal structures and superconductivity of Stannane (SnH4).

How evolutionary crystal structure prediction works--and why.

How to quantify energy landscapes of solids

Hydrogen sulfide at high pressure: Change in stoichiometry

Investigation of exotic stable calcium carbides using theory and experiment.

Ionic high-pressure form of elemental boron

Lattice dynamics of MgO at high pressure: theory and experiment

Mechanism of the fcc-to-hcp phase transformation in solid Ar.

Mixed spin S = 1 and S = 1 2 layered lattice in Cu 2 F 5

New reconstructions of the (110) surface of rutile TiO2 predicted by an evolutionary method

Nitrogen oxides under pressure: stability, ionization, polymerization, and superconductivity.

Novel Strongly Correlated Europium Superhydrides

Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction

Novel compounds in the Zr-O system, their crystal structures and mechanical properties

Novel high pressure structures and superconductivity of CaLi2

Novel high pressure structures of polymeric nitrogen.

Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle

Novel hydrogen hydrate structures under pressure

Novel lithium-nitrogen compounds at ambient and high pressures

Novel magnesium borides and their superconductivity

Novel stable compounds in the Mg–O system under high pressure

Novel structures and superconductivity of silane under pressure

Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations.

Novel superhard B-C-O phases predicted from first principles

Novel two-dimensional boron oxynitride predicted using the USPEX evolutionary algorithm

Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones ⬇️

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.

Predicting polymeric crystal structures by evolutionary algorithms. ⬇️

Prediction and Synthesis of Dysprosium Hydride Phases at High Pressure

Prediction of a stable post-post-perovskite structure from first principles ⬇️

Prediction of new thermodynamically stable aluminum oxides

Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures

Pressure-driven formation and stabilization of superconductive chromium hydrides

Pressure-induced stabilization and insulator-superconductor transition of BH

Rational design of all organic polymer dielectrics

Rational design of inorganic dielectric materials with expected permittivity

Resorcinol Crystallization from the Melt: A New Ambient Phase and New "Riddles".