List of works - Manh Cuong Nguyen

A scheme for the generation of Fe–P networks to search for low-energy LiFePO4 crystal structures

Ab initiostudy of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage

scholarly article in Physical Review B, vol. 76 no. 19, November 2007

An adaptive genetic algorithm for crystal structure prediction

scientific article published on 18 December 2013

Atomic Structure and Magnetic Properties of HfCo$_{7}$ Alloy

Atomic structure and magnetic properties of Fe1–xCox alloys

Calcium-Decorated, Hydroxylated Single-Walled Carbon Nanotubes for Hydrogen Storage: A First-Principles Study

scientific article published on 27 December 2010

Calcium-hydroxyl group complex for potential hydrogen storage media: A density functional theory study

scholarly article in Physical Review B, vol. 79 no. 23, June 2009

Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets

Crystal structure and magnetic properties of new Fe3Co3X2(X = Ti, Nb) intermetallic compounds

Elastic and electronic tuning of magnetoresistance in MoTe2.

scientific article published on 15 December 2017

Electronic structure, optical and magnetic studies of PLD-grown (Mn, P)-doped ZnO nanocolumns at room temperature

Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

scientific article

Exploring the structural complexity of intermetallic compounds by an adaptive genetic algorithm

scientific article published on 28 January 2014

Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials

scientific article published on 01 May 2018

Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe_{3} under Pressure. ⬇️

scientific article

First-principles study of direct and narrow band gap semiconductingβ-CuGaO2

First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics

Genetic algorithm prediction of crystal structure of metastable Si-IX phase

Growth and characterization of BaZnGa

Hydrogen storage in Ca-decorated, B-substituted metal organic framework

Hydrogen storage using functionalized saturated hydrocarbons

Interface Structure Prediction from First-Principles

Iron-Decorated, Functionalized Metal Organic Framework for High-Capacity Hydrogen Storage: First-Principles Calculations

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

scientific article published on 27 March 2018

New Be-intercalated hexagonal boron layer structure of BeB2

scholarly article in RSC Advances, vol. 4 no. 29, 2014

New layered structures of cuprous chalcogenides as thin film solar cell materials: Cu2Te and Cu2Se

scientific article published on 15 October 2013

New stable Re-B phases for ultra-hard materials

scientific article published on 16 October 2014

New structures of Fe3S for rare-earth-free permanent magnets

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

scientific article

Prediction of novel stable Fe-V-Si ternary phase

Robust diamond-like Fe-Si network in the zero-strain Na FeSiO4 cathode

Role of Surface Stress on the Reactivity of Anatase TiO2(001).

scientific article published on 31 March 2017

Stabilities and defect-mediated lithium-ion conduction in a ground state cubic Li3N structure

scientific article published on 01 February 2016

Structure and magnetism of new rare-earth-free intermetallic compounds: Fe3+xCo3−xTi2 (0 ≤ x ≤ 3)

Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations

Structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm

scholarly article in RSC Advances, vol. 3 no. 44, 2013

Structures of defects on anatase TiO2(001) surfaces

scientific article published on 3 August 2017

Titanium-functional group complexes for high-capacity hydrogen storage materials

scholarly article by Hoonkyung Lee et al published June 2008 in Solid State Communications

sp3-hybridized framework structure of group-14 elements discovered by genetic algorithm

scholarly article in Physical Review B, vol. 89 no. 18, May 2014

List of works by Manh Cuong Nguyen

A scheme for the generation of Fe–P networks to search for low-energy LiFePO4 crystal structures

Ab initiostudy of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage

An adaptive genetic algorithm for crystal structure prediction

Atomic Structure and Magnetic Properties of HfCo$_{7}$ Alloy

Atomic structure and magnetic properties of Fe1–xCox alloys

Calcium-Decorated, Hydroxylated Single-Walled Carbon Nanotubes for Hydrogen Storage: A First-Principles Study

Calcium-hydroxyl group complex for potential hydrogen storage media: A density functional theory study

Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets

Crystal structure and magnetic properties of new Fe3Co3X2(X = Ti, Nb) intermetallic compounds

Elastic and electronic tuning of magnetoresistance in MoTe2.

Electronic structure, optical and magnetic studies of PLD-grown (Mn, P)-doped ZnO nanocolumns at room temperature

Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

Exploring the structural complexity of intermetallic compounds by an adaptive genetic algorithm

Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials

Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe_{3} under Pressure. ⬇️

First-principles study of direct and narrow band gap semiconductingβ-CuGaO2

First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics

Genetic algorithm prediction of crystal structure of metastable Si-IX phase

Growth and characterization of BaZnGa

Hydrogen storage in Ca-decorated, B-substituted metal organic framework

Hydrogen storage using functionalized saturated hydrocarbons

Interface Structure Prediction from First-Principles

Iron-Decorated, Functionalized Metal Organic Framework for High-Capacity Hydrogen Storage: First-Principles Calculations

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

New Be-intercalated hexagonal boron layer structure of BeB2

New layered structures of cuprous chalcogenides as thin film solar cell materials: Cu2Te and Cu2Se

New stable Re-B phases for ultra-hard materials

New structures of Fe3S for rare-earth-free permanent magnets

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

Prediction of novel stable Fe-V-Si ternary phase

Robust diamond-like Fe-Si network in the zero-strain Na FeSiO4 cathode

Role of Surface Stress on the Reactivity of Anatase TiO2(001).

Stabilities and defect-mediated lithium-ion conduction in a ground state cubic Li3N structure

Structure and magnetism of new rare-earth-free intermetallic compounds: Fe3+xCo3−xTi2 (0 ≤ x ≤ 3)

Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations

Structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm

Structures of defects on anatase TiO2(001) surfaces

Titanium-functional group complexes for high-capacity hydrogen storage materials

sp3-hybridized framework structure of group-14 elements discovered by genetic algorithm