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Computational Materials Engineering lab at University of Toronto

Other IDs

Scopus Author ID: 55578703800
ResearcherID: B-4632-2008
ResearcherID: O-9265-2016

Keywords

Computational Materials Science

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Employment (5)

University of Toronto: ON, ON, CA

2020-09-01 to present | Associate Director of Academic Programs (Materials Acceleration Consortium)
Employment
Source: Self-asserted source
Chandra Veer Singh

University of Toronto: ON, ON, CA

2018-07-01 to present | Associate Chair of Research (Materials Science and Engineering)
Employment
Source: Self-asserted source
Chandra Veer Singh

University of Toronto: Toronto, ON, CA

2016-07 to present | Erwin Edward Hart Endowed Professor (Materials Science and Engineering)
Employment
Source: Self-asserted source
Chandra Veer Singh

University of Toronto: Toronto, ON, CA

2011-09 to 2016-06 | Assistant Professor (Materials Science & Engineering)
Employment
Source: Self-asserted source
Chandra Veer Singh

Cornell University: Ithaca, NY, US

2009-01 to 2011-09 | Postdoctoral Associate
Employment
Source: Self-asserted source
Chandra Veer Singh

Education and qualifications (2)

Texas A&M University: College Station, TX, US

2005-08 to 2008-12 | Ph. D. (Aerospace Engineering)
Education
Source: Self-asserted source
Chandra Veer Singh

Indian Institute of Science: Bangalore, Karnataka, IN

2001-07 to 2003-02 | M. Tech. in Satellite Technology & Applications (Aerospace Engineering)
Education
Source: Self-asserted source
Chandra Veer Singh

Professional activities (3)

Minerals Metals and Materials Society: Pittsburgh, Pennsylvania, US

Membership
Source: Self-asserted source
Chandra Veer Singh

Materials Research Society: PA, PA, US

Membership
Source: Self-asserted source
Chandra Veer Singh

American Society of Mechanical Engineers: NY, NY, US

Membership
Source: Self-asserted source
Chandra Veer Singh

Works (50 of 158)

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Page 1 of 4

Disorder unlocks the strength-toughness trade-off in metamaterials

Applied Materials Today
2025-02 | Journal article
DOI: 10.1016/j.apmt.2024.102579
Contributors: Sahar Choukir; Nirosh Manohara; Chandra Veer Singh
Source: check_circle
Crossref

A combined AIMD and DFT study of the low-energy radiation responses of GaN

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D4CP00426D
Contributors: Ming Jiang; Nuo Cheng; Xin-Yu Zhu; Xuan-Liang Hu; Zi-Han Wang; Ning Liu; Shuo Song; Sheng-Ze Wang; Xu-Sheng Liu; Chandra Veer Singh
Source: check_circle
Crossref

Defect energetics in an high-entropy alloy fcc CoCrFeMnNi

Materials Advances
2024 | Journal article
DOI: 10.1039/D3MA01148H
Contributors: Chan Gao; Shuyu Wang; Xiao Liu; Chandra Veer Singh
Source: check_circle
Crossref

Effects of neutral point defects on the solid-state electrolyte Li3ScBr6

Journal of Materials Chemistry C
2024 | Journal article
DOI: 10.1039/D3TC03266C
Contributors: Ming Jiang; Zhi-Wen Chen; Adwitiya Rao; Li-Xin Chen; Parvin Adeli; Patrick Mercier; Yaser Abu-Lebdeh; Chandra Veer Singh
Source: check_circle
Crossref

Interface engineering and oxygen vacancies derived from plasma-treated Cu2O synergistically enhancing electrocatalytic CO2-to-C2+ conversion

Journal of Materials Chemistry A
2024 | Journal article
DOI: 10.1039/D4TA03492A
Contributors: Lei Wang; Xue Yao; Subhajit Jana; Yongzan Zhou; Chunlan Qin; Hongwei Shou; Youchao Teng; Ning Chen; Lidong Zhang; Chandra Veer Singh et al.
Source: check_circle
Crossref

A comparative AIMD study of electronic excitation-induced amorphization in 3C-SiC, TiC, and ZrC

Journal of Applied Physics
2024-10-28 | Journal article
DOI: 10.1063/5.0225112
Contributors: Shuo Song; Sheng-Ze Wang; Ming Jiang; Wen Ji; Xi Tang; Chandra Veer Singh
Source: check_circle
Crossref

A first-principles study of low-energy radiation responses of β-Ga2O3

Journal of Applied Physics
2024-08-14 | Journal article
DOI: 10.1063/5.0203161
Contributors: Ming Jiang; Wang-Jian Liu; Yan Zhou; Xu-Sheng Liu; Chandra Veer Singh
Source: check_circle
Crossref

Cyclic Wear Reliability of 2D Monolayers

ACS Applied Materials & Interfaces
2024-05-29 | Journal article
DOI: 10.1021/acsami.4c04495
Contributors: Nima Barri; Akshat Rastogi; Md Akibul Islam; Boran Kumral; Pedro Guerra Demingos; Momoko Onodera; Tomoki Machida; Chandra Veer Singh; Tobin Filleter
Source: check_circle
Crossref

Synergistic Ni−W Dimer Sites Induced Stable Compressive Strain for Boosting the Performance of Pt as Electrocatalyst for the Oxygen Reduction Reaction

Angewandte Chemie
2024-05-21 | Journal article
DOI: 10.1002/ange.202318872
Contributors: Xiaozhang Yao; Zhongxin Song; Xue Yao; Yi Guan; Natalie Hamada; Jingyan Zhang; Ziwei Huo; Lei Zhang; Chandra Veer Singh; Xueliang Sun
Source: check_circle
Crossref

Synergistic Ni−W Dimer Sites Induced Stable Compressive Strain for Boosting the Performance of Pt as Electrocatalyst for the Oxygen Reduction Reaction

Angewandte Chemie International Edition
2024-05-21 | Journal article
DOI: 10.1002/anie.202318872
Contributors: Xiaozhang Yao; Zhongxin Song; Xue Yao; Yi Guan; Natalie Hamada; Jingyan Zhang; Ziwei Huo; Lei Zhang; Chandra Veer Singh; Xueliang Sun
Source: check_circle
Crossref

Chemo-mechanical failure mechanisms of the silicon anode in solid-state batteries

Nature Materials
2024-04 | Journal article
DOI: 10.1038/s41563-023-01792-x
Contributors: Hanyu Huo; Ming Jiang; Yang Bai; Shamail Ahmed; Kerstin Volz; Hannah Hartmann; Anja Henss; Chandra Veer Singh; Dierk Raabe; Jürgen Janek
Source: check_circle
Crossref

Heterogeneous Rhodium Single-Atom-Site Catalyst Enables Chemoselective Carbene N–H Bond Insertion

Journal of the American Chemical Society
2024-04-17 | Journal article
DOI: 10.1021/jacs.4c01408
Contributors: Yuanjun Chen; Ruixue Zhang; Zhiwen Chen; Jiangwen Liao; Xuedong Song; Xiao Liang; Yu Wang; Juncai Dong; Chandra Veer Singh; Dingsheng Wang et al.
Source: check_circle
Crossref

First-Principles Approach for Assessing the Detection of Alzheimer’s Biomarkers Using Titanium Carbide MXenes

ACS Applied Nano Materials
2024-04-12 | Journal article
DOI: 10.1021/acsanm.3c05805
Contributors: Narender Kumar; Hyeonhu Bae; Hoonkyung Lee; Tanveer Hussain; Abu Anand; Chandra Veer Singh; Nacir Tit
Source: check_circle
Crossref

Vacancy-Enhanced Sb–N4 Sites for the Oxygen Reduction Reaction and Zn–Air Battery

Nano Letters
2024-04-10 | Journal article
DOI: 10.1021/acs.nanolett.4c00808
Contributors: Ying Zhang; Zhi-Wen Chen; Xu Liu; Zi Wen; Chandra Veer Singh; Chun Cheng Yang; Qing Jiang
Source: check_circle
Crossref

Machine Learning Enabled Prediction of High Stiffness 2D Materials

ACS Materials Letters
2024-02-05 | Journal article
DOI: 10.1021/acsmaterialslett.3c01322
Contributors: Hema Rajesh Nadella; Sankha Mukherjee; Abu Anand; Chandra Veer Singh
Source: check_circle
Crossref

Unusual Sabatier principle on high entropy alloy catalysts for hydrogen evolution reactions

Nature Communications
2024-01-08 | Journal article
DOI: 10.1038/s41467-023-44261-4
Contributors: Zhi Wen Chen; Jian Li; Pengfei Ou; Jianan Erick Huang; Zi Wen; LiXin Chen; Xue Yao; GuangMing Cai; Chun Cheng Yang; Chandra Veer Singh et al.
Source: check_circle
Crossref

Machine learning assisted binary alloy catalyst design for the electroreduction of CO2 to C2 products

Energy Advances
2023 | Journal article
DOI: 10.1039/D2YA00316C
Contributors: Zachary Gariepy; Guiyi Chen; Anni Xu; Zhuole Lu; Zhi Wen Chen; Chandra Veer Singh
Source: check_circle
Crossref

Nanoengineered Au–carbon nitride interfaces enhance photocatalytic pure water splitting to hydrogen

Journal of Materials Chemistry A
2023 | Journal article
DOI: 10.1039/D3TA05201J
Contributors: Ingrid F. Silva; Soumyabrata Roy; Pawan Kumar; Zhi Wen Chen; Ivo F. Teixeira; Astrid Campos-Mata; Loudiana M. Antônio; Luiz O. Ladeira; Humberto O. Stumpf; Chandra Veer Singh et al.
Source: check_circle
Crossref

The effects of point defects on thermal-mechanical properties of BiCuOTe: a first-principles study

Physical Chemistry Chemical Physics
2023 | Journal article
DOI: 10.1039/D2CP05175C
Contributors: Ming Jiang; Xing-Can Guo; Xiao-Tao Zu; Chandra Veer Singh
Source: check_circle
Crossref

Structural Self-Regulation-Promoted NO Electroreduction on Single Atoms

Journal of the American Chemical Society
2023-12-06 | Journal article
DOI: 10.1021/jacs.3c08936
Contributors: Xue Yao; Linke Huang; Ethan Halpren; Lixin Chen; Zhiwen Chen; Chandra Veer Singh
Source: check_circle
Crossref

Defect Engineering of Graphene for Dynamic Reliability

Small
2023-10 | Journal article
DOI: 10.1002/smll.202302145
Contributors: Boran Kumral; Pedro Guerra Demingos; Teng Cui; Peter Serles; Nima Barri; Chandra Veer Singh; Tobin Filleter
Source: check_circle
Crossref

Recent advances in computational design of structural multi-principal element alloys

iScience
2023-10 | Journal article
DOI: 10.1016/j.isci.2023.107751
Contributors: Abu Anand; Szu-Jia Liu; Chandra Veer Singh
Source: check_circle
Crossref

Automatic graph representation algorithm for heterogeneous catalysis

APL Machine Learning
2023-09-01 | Journal article
DOI: 10.1063/5.0140487
Contributors: Zachary Gariepy; ZhiWen Chen; Isaac Tamblyn; Chandra Veer Singh; Conrard Giresse Tetsassi Feugmo
Source: check_circle
Crossref

Intrinsic and external active sites of single-atom catalysts

iScience
2023-07 | Journal article
DOI: 10.1016/j.isci.2023.107275
Contributors: Xue Yao; Ethan Halpren; Ye Zhou Liu; Chung Hsuan Shan; Zhi Wen Chen; Li Xin Chen; Chandra Veer Singh
Source: check_circle
Crossref

The interplay between constituent material and architectural disorder in bioinspired honeycomb structures

International Journal of Engineering Science
2023-07 | Journal article
DOI: 10.1016/j.ijengsci.2023.103863
Contributors: Sahar Choukir; Derek Aranguren van Egmond; Benjamin D. Hatton; Glenn D. Hibbard; Chandra Veer Singh
Source: check_circle
Crossref

Anomalous Sabatier principle on high entropy alloy catalysts

2023-04-07 | Preprint
DOI: 10.21203/rs.3.rs-2756931/v1
Contributors: Chandra Veer Singh; Zhi-Wen Chen; Jian Li; Pengfei Ou; Jianan Erick Huang; Zi Wen; Li Xin Chen; Xue Yao; Guang Ming Cai; Chun Cheng Yang et al.
Source: check_circle
Crossref

Work Function-Tailored Nitrogenase-like Fe Double-Atom Catalysts on Transition Metal Dichalcogenides for Nitrogen Fixation

ACS Sustainable Chemistry & Engineering
2023-04-03 | Journal article
DOI: 10.1021/acssuschemeng.2c06460
Contributors: Xue Yao; Zhiming Zhang; LiXin Chen; Zhi-Wen Chen; Yong-Fu Zhu; Chandra Veer Singh
Source: check_circle
Crossref

Hexagonal Cobalt Nanosheets for High-Performance Electrocatalytic NO Reduction to NH3

Journal of the American Chemical Society
2023-03-29 | Journal article
DOI: 10.1021/jacs.3c00276
Contributors: Dongdong Wang; Zhi-Wen Chen; Kaizhi Gu; Chen Chen; Yingying Liu; Xiaoxiao Wei; Chandra Veer Singh; Shuangyin Wang
Source: check_circle
Crossref

Extraordinary lattice thermal conductivity of gold sulfide monolayers

Nanoscale Advances
2022 | Journal article
DOI: 10.1039/D2NA00019A
Contributors: Armin Taheri; Simone Pisana; Chandra Veer Singh
Source: check_circle
Crossref

Machine learning-enabled band gap prediction of monolayer transition metal chalcogenide alloys

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D1CP05847A
Contributors: Chan Gao; Xiaoyong Yang; Ming Jiang; Lixin Chen; Zhiwen Chen; Chandra Veer Singh
Source: check_circle
Crossref

Se-doped Li6PS5Cl and Li5.5PS4.5Cl1.5 with improved ionic conductivity and interfacial compatibility: a high-throughput DFT study

Journal of Materials Chemistry C
2022 | Journal article
DOI: 10.1039/D2TC03696G
Contributors: Ming Jiang; Zhi-Wen Chen; Adwitiya Rao; Li-Xin Chen; Xiao-Tao Zu; Chandra Veer Singh
Source: check_circle
Crossref

Machine-Learning-Driven High-Entropy Alloy Catalyst Discovery to Circumvent the Scaling Relation for CO2 Reduction Reaction

ACS Catalysis
2022-12-16 | Journal article
DOI: 10.1021/acscatal.2c03675
Contributors: Zhi Wen Chen; Zachary Gariepy; Lixin Chen; Xue Yao; Abu Anand; Szu-Jia Liu; Conrard Giresse Tetsassi Feugmo; Isaac Tamblyn; Chandra Veer Singh
Source: check_circle
Crossref

Phase Transformation-Induced Quantum Dot States on the Bi/Si(111) Surface

ACS Applied Materials & Interfaces
2022-08-10 | Journal article
DOI: 10.1021/acsami.2c07015
Contributors: Longxing Chi; Jun Nogami; Chandra Veer Singh
Source: check_circle
Crossref

High-throughput and machine-learning accelerated design of high entropy alloy catalysts

Trends in Chemistry
2022-07 | Journal article
DOI: 10.1016/j.trechm.2022.03.010
Contributors: Zhi Wen Chen; LiXin Chen; Zachary Gariepy; Xue Yao; Chandra Veer Singh
Source: check_circle
Crossref

Automatically Capturing Key Features for Predicting Superionic Conductivity of Solid-State Electrolytes Using a Neural Network

ACS Applied Energy Materials
2022-07-25 | Journal article
DOI: 10.1021/acsaem.2c00493
Contributors: Zhuole Lu; Parvin Adeli; Chae-Ho Yim; Ming Jiang; Jacob Rempel; Zhi Wen Chen; Shwetank Yadav; Patrick Mercier; Yaser Abu-Lebdeh; Chandra Veer Singh
Source: check_circle
Crossref

Friction of Ti3C2Tx MXenes

Nano Letters
2022-04-27 | Journal article
DOI: 10.1021/acs.nanolett.2c00614
Contributors: Peter Serles; Mahdi Hamidinejad; Pedro Guerra Demingos; Li Ma; Nima Barri; Hayden Taylor; Chandra Veer Singh; Chul B. Park; Tobin Filleter
Source: check_circle
Crossref

Interplay between Thermal Stress and Interface Binding on Fracture of WS2 Monolayer with Triangular Voids

ACS Applied Materials & Interfaces
2022-04-13 | Journal article
DOI: 10.1021/acsami.2c00901
Contributors: Divya Verma; Pawan Kumar; Sankha Mukherjee; Deepa Thakur; Chandra Veer Singh; Viswanath Balakrishnan
Source: check_circle
Crossref

Mechanical Size Effect of Freestanding Nanoconfined Polymer Films

Macromolecules
2022-02-22 | Journal article
DOI: 10.1021/acs.macromol.1c02270
Contributors: Guorui Wang; Farzin Najafi; Kevin Ho; Mahdi Hamidinejad; Teng Cui; Gilbert C. Walker; Chandra Veer Singh; Tobin Filleter
Source: check_circle
Crossref

Machine learned interatomic potentials using random features

npj Computational Materials
2022-01-17 | Journal article
DOI: 10.1038/s41524-021-00685-4
Contributors: Gurjot Dhaliwal; Prasanth B. Nair; Chandra Veer Singh
Source: check_circle
Crossref

High-Strength, Microporous, Two-Dimensional Polymer Thin Films with Rigid Benzoxazole Linkage

ACS Applied Materials & Interfaces
2022-01-12 | Journal article
DOI: 10.1021/acsami.1c17501
Contributors: Kristen A. Miller; Lawrence B. Alemany; Soumyabrata Roy; Qianqian Yan; Pedro Guerra Demingos; Chandra Veer Singh; Sampath Alahakoon; Eilaf Egap; Edwin L. Thomas; Pulickel M. Ajayan
Source: check_circle
Crossref

A first-principles study of the relationship between modulus and ideal strength of single-layer, transition metal dichalcogenides

Materials Advances
2021 | Journal article
DOI: 10.1039/D1MA00239B
Contributors: Hao Sun; Pratyaksh Agrawal; Chandra Veer Singh
Source: check_circle
Crossref

Defect evolution behaviors from single sulfur point vacancies to line vacancies in monolayer molybdenum disulfide

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/D1CP02852A
Contributors: Chan Gao; Xiaoyong Yang; Ming Jiang; Lixin Chen; Zhiwen Chen; Chandra Veer Singh
Source: check_circle
Crossref

How does mass transfer influence electrochemical carbon dioxide reduction reaction? A case study of Ni molecular catalyst supported on carbon

Chemical Communications
2021 | Journal article
DOI: 10.1039/D0CC07466G
Contributors: Chang Guo; Song Liu; Zhiwen Chen; Bingyu Li; Lixin Chen; Chandra Veer Singh; Bin Liu; Qing Mao
Source: check_circle
Crossref

Insights into oxygen activation on metal clusters for catalyst design

Journal of Materials Chemistry A
2021 | Journal article
DOI: 10.1039/D1TA01269J
Contributors: Li Xin Chen; Zi Wen; Zhi Wen Chen; Chandra Veer Singh; Qing Jiang
Source: check_circle
Crossref

Insights on the dual role of two-dimensional materials as catalysts and supports for energy and environmental catalysis

Journal of Materials Chemistry A
2021 | Journal article
DOI: 10.1039/D0TA08649E
Contributors: Li Xin Chen; Zhi Wen Chen; Ming Jiang; Zhuole Lu; Chan Gao; Guangming Cai; Chandra Veer Singh
Source: check_circle
Crossref

Quantum well states and sizable Rashba splitting on Pb induced α-phase Bi/Si(111) surface reconstruction

Nanoscale
2021 | Journal article
DOI: 10.1039/D1NR04588A
Contributors: Longxing Chi; Chandra Veer Singh; Jun Nogami
Source: check_circle
Crossref

Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/D0CP06336C
Contributors: Chan Gao; Xiaoyong Yang; Ming Jiang; Lixin Chen; Zhiwen Chen; Chandra Veer Singh
Source: check_circle
Crossref

Eggshell-like MoS2 Nanostructures with Negative Curvature and Stepped Faces for Efficient Hydrogen Evolution Reactions

ACS Applied Nano Materials
2021-12-24 | Journal article
DOI: 10.1021/acsanm.1c03403
Contributors: Jian Li; Li Xin Chen; Xiao Xuan Liu; Zi Wen; Chandra Veer Singh; Chun Cheng Yang; Qing Jiang
Source: check_circle
Crossref

Fatigue resistance of atomically thin graphene oxide

Carbon
2021-10 | Journal article
DOI: 10.1016/j.carbon.2021.07.062
Contributors: Farzin Najafi; Guorui Wang; Teng Cui; Abu Anand; Sankha Mukherjee; Tobin Filleter; Mohini Sain; Chandra Veer Singh
Source: check_circle
Crossref

Two-Dimensional Graphdiyne-Confined Platinum Catalyst for Hydrogen Evolution and Oxygen Reduction Reactions

ACS Applied Materials & Interfaces
2021-10-13 | Journal article
DOI: 10.1021/acsami.1c12054
Contributors: Li Xin Chen; Ming Jiang; Zhuole Lu; Chan Gao; Zhi Wen Chen; Chandra Veer Singh
Source: check_circle
Crossref
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Peer review (45 reviews for 19 publications/grants)

Review activity for ACS applied materials & interfaces. (3)
Review activity for ACS catalysis. (8)
Review activity for ACS nano. (1)
Review activity for Additive manufacturing. (2)
Review activity for Advanced functional materials. (1)
Review activity for Advanced materials. (4)
Review activity for Advanced science. (2)
Review activity for Angewandte Chemie. (1)
Review activity for Chem Catalysis (2)
Review activity for ChemPhysChem. (1)
Review activity for ChemSusChem (3)
Review activity for Joule. (2)
Review activity for Journal of physical chemistry. (5)
Review activity for Journal of the American Chemical Society. (2)
Review activity for Matter. (3)
Review activity for Nature Catalysis. (2)
Review activity for Nature materials. (1)
Review activity for The journal of physical chemistry letters. (1)
Review activity for The journal of physical chemistry. (1)
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