Arunima Singh

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Assistant Professor

Arizona State University

United States

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About

Arunima Singh is an Assistant Professor at Arizona State University, specializing in advanced materials and machine learning applications. Her recent research encompasses stabilization of Janus 2D–bulk heterostructures, development of oxide nanoscrolls for solar energy applications, and first-principles simulations of electronic properties in various materials. Additionally, her work includes exploring many-body physics in the discovery of solar materials and modeling transport phenomena in diamond.

Recent Grants

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Prediction and synthesis of metal oxide nanosheets and nanoscrolls

Open Date: 2019-08-01

Close Date: 2022-07-31

Articles (16)

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2025

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2020

Collaborators (4)

Christoph Koch

Professor (W3)

Humboldt-Universität zu Berlin

GERMANY

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Alexander Green

Assistant Professor

Boston University

UNITED STATES

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Peter Rez

Arizona State University

UNITED STATES

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Qing Hua Wang

Assistant Professor

Arizona State University

UNITED STATES

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Arunima Singh

Research Interests

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About

Recent Grants

Articles (16)

Fundamental Factors Governing Stabilization of Janus 2D–Bulk Heterostructures with Machine Learning

Robust and tunable oxide nanoscrolls for solar-driven H2 generation and storage

Predicting the structure and stability of oxide nanoscrolls from dichalcogenide precursors

Electronic Properties of Ultra‐Wide Bandgap BxAl1−xN Computed from First‐Principles Simulations

Many-body physics and machine learning enabled discovery of promising solar materials

First-principles modeling of high-field transport in diamond

Atomic-Resolution Mapping of Localized Phonon Modes at Grain Boundaries

Ab Initio Prediction of Ultra‐Wide Band Gap BxAl1−xN Materials

pyGWBSE: a high throughput workflow package for GW-BSE calculations

Ab initio-based metric for predicting the protectiveness of surface films in aqueous media

Anomalous stability of non-van der Waals bonded B4C nanosheets through surface reconstruction

Computational synthesis of 2D materials: A high-throughput approach to materials design

Excitonic effects in absorption spectra of carbon dioxide reduction photocatalysts

Exfoliation of boron carbide into ultrathin nanosheets

Two-dimensional forms of robust CO2 reduction photocatalysts

Corrigendum: Computational methods for 2D materials: discovery, property characterization, and application design (2017 J. Phys.: Condens. Matter 29 473001)

Collaborators (4)

Christoph Koch

Alexander Green

Peter Rez

Qing Hua Wang

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