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List of works by Arunima K Singh

Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials

scientific article published on 27 August 2015

Ab initiostudies of Cs on GaAs (100) and (110) surfaces

scholarly article in Physical Review B, vol. 91 no. 3, January 2015

Ab initiosynthesis of single-layer III-V materials

scholarly article in Physical Review B, vol. 89 no. 24, June 2014

Al2O3 as a suitable substrate and a dielectric layer for n-layer MoS2

An Antimony Selenide Molecular Ink for Flexible Broadband Photodetectors

scientific article published on 03 August 2016

Analyzing Fe–Zn system using molecular dynamics, evolutionary neural nets and multi-objective genetic algorithms

Characterization of Few-Layer 1T' MoTe2 by Polarization-Resolved Second Harmonic Generation and Raman Scattering.

scientific article

Computational Screening of 2D Materials for Photocatalysis

scientific article published on 12 March 2015

Computational discovery of single-layer III-V materials

scholarly article in Physical Review B, vol. 87 no. 16, April 2013

Computational prediction of two-dimensional group-IV mono-chalcogenides

Computational synthesis of single-layer GaN on refractory materials

Electrochemical Stability of Metastable Materials

High throughput screening of substrates for synthesis and functionalization of 2D materials

Identification and Optimization of AB2Phases Using Principal Component Analysis, Evolutionary Neural Nets, and Multiobjective Genetic Algorithms

MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems

scientific article published in September 2016

Prediction of entropy stabilized incommensurate phases in the system MoS2 -MoTe2.

scientific article published on 18 October 2016

Robust and synthesizable photocatalysts for CO reduction: a data-driven materials discovery

scientific article published in Nature Communications

Scaling relation for thermal ripples in single and multilayer graphene

scholarly article in Physical Review B, vol. 87 no. 9, March 2013

The nanocrystal superlattice pressure cell: a novel approach to study molecular bundles under uniaxial compression

scientific article

The structural phases and vibrational properties of Mo1−xWxTe2 alloys

van der Waals Epitaxial Growth of Graphene on Sapphire by Chemical Vapor Deposition without a Metal Catalyst

scientific article published on 26 December 2012