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Scopus Author ID: 57217584406
Scopus Author ID: 57201028088

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Employment (5)

Rowan University: Glassboro, NJ, US

2024-09-01 to present | Assistant Professor (Mechanical Engineering)
Employment
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Rowan University

Princeton University: Princeton, NJ, US

2021-09-13 to present | Postdoctoral Research Associate (MAE)
Employment
Source: Self-asserted source
Aditya Lele

The Pennsylvania State University - University Park Campus: University Park, PA, US

2021-08-02 to 2021-09-12 | Research Staff (Mechanical Engineering)
Employment
Source: Self-asserted source
Aditya Lele

Pennsylvania State University: University Park, PA, US

2018-08-17 to 2021-07-31 | Ph D Candidate (Mechanical Engineering)
Employment
Source: Self-asserted source
Aditya Lele

Indian Institute of Technology Madras: Chennai, Tamil Nadu, IN

2016-01 to 2018-06 | MS Research Scholar (Mechanical Engineering)
Employment
Source: Self-asserted source
Aditya Lele

Education and qualifications (3)

Pennsylvania State University: University Park, PA, US

2018-08 to 2021-08 | PhD (Mechanical Engineering)
Education
Source: Self-asserted source
Aditya Lele

Indian Institute of Technology Madras: Chennai, Tamil Nadu, IN

2016-01 to 2018-06 | M.S. (by research) (Mechanical Engineering)
Education
Source: Self-asserted source
Aditya Lele

Vishwakarma Institute of Technology: Pune, Maharashtra, IN

2011-08 to 2015-05 | B. Tech. (Mechanical Engineering)
Education
Source: Self-asserted source
Aditya Lele

Works (18)

Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts

The Journal of Physical Chemistry C
2025-03-13 | Journal article
DOI: 10.1021/acs.jpcc.4c07596
Contributors: Aditya Dilip Lele; Zhiyu Shi; Shrey Khetan; Emily A. Carter; John Mark P. Martirez; Yiguang Ju
Source: check_circle
Crossref

Modelling the effect of surface charging on plasma synthesis of ammonia using DFT

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D3CP06050K
Contributors: Aditya Dilip Lele; Yijie Xu; Yiguang Ju
Source: check_circle
Crossref

Interpretable Attention-based Transfer Learning in Plasma Catalysis: A Study on the Role of Surface Charge

2024-06-25 | Preprint
DOI: 10.21203/rs.3.rs-4574727/v1
Contributors: Ali Mesbah; Ketong Shao; Aditya Lele; Zhiyu Shi; Victor Miller; Yiguang Ju
Source: check_circle
Crossref

Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data

The Journal of Physical Chemistry A
2024-05-02 | Journal article
DOI: 10.1021/acs.jpca.4c00750
Contributors: Zhiyu Shi; Aditya Dilip Lele; Ahren W. Jasper; Stephen J. Klippenstein; Yiguang Ju
Source: check_circle
Crossref

Methanol oxidation up to 100 atm in a supercritical pressure jet-stirred reactor

Proceedings of the Combustion Institute
2023 | Journal article
DOI: 10.1016/j.proci.2022.07.068
Contributors: Ziyu Wang; Hao Zhao; Chao Yan; Ying Lin; Aditya D. Lele; Wenbin Xu; Brandon Rotavera; Ahren W. Jasper; Stephen J. Klippenstein; Yiguang Ju
Source: check_circle
Crossref

A stable atmospheric-pressure plasma for extreme-temperature synthesis

Nature
2023-11-30 | Journal article
DOI: 10.1038/s41586-023-06694-1
Contributors: Hua Xie; Ning Liu; Qian Zhang; Hongtao Zhong; Liqun Guo; Xinpeng Zhao; Daozheng Li; Shufeng Liu; Zhennan Huang; Aditya Dilip Lele et al.
Source: check_circle
Crossref

Assessment of the impact of reactor residence time distribution on non-equilibrium product selectivity of polypropylene pyrolysis using reactive molecular dynamics simulations

Fuel
2023-04 | Journal article
DOI: 10.1016/j.fuel.2022.127328
Part of ISSN: 0016-2361
Contributors: Aditya Dilip Lele; Yiguang Ju
Source: Self-asserted source
Aditya Lele

Depolymerization of plastics by means of electrified spatiotemporal heating

Nature
2023-04-20 | Journal article
DOI: 10.1038/s41586-023-05845-8
Contributors: Qi Dong; Aditya Dilip Lele; Xinpeng Zhao; Shuke Li; Sichao Cheng; Yueqing Wang; Mingjin Cui; Miao Guo; Alexandra H. Brozena; Ying Lin et al.
Source: check_circle
Crossref

Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics

The Journal of Chemical Physics
2023-02-07 | Journal article
DOI: 10.1063/5.0134785
Contributors: Efstratios M. Kritikos; Aditya Lele; Adri C. T. van Duin; Andrea Giusti
Source: check_circle
Crossref

A reactive molecular dynamics study of the effects of an electric field on n-dodecane combustion

Combustion and Flame
2022-10 | Journal article
DOI: 10.1016/j.combustflame.2022.112238
Contributors: Efstratios M. Kritikos; Aditya Lele; Adri C.T. van Duin; Andrea Giusti
Source: check_circle
Crossref

ReaxFF Force Field Development for Gas-Phase hBN Nanostructure Synthesis

The Journal of Physical Chemistry A
2022-02-03 | Journal article
DOI: 10.1021/acs.jpca.1c09648
Contributors: Aditya Lele; Predrag Krstic; Adri C. T. van Duin
Source: check_circle
Crossref
grade
Preferred source (of 3)‎

Atomistic-scale simulations on graphene bending near a copper surface

Catalysts
2021 | Journal article
DOI: 10.3390/catal11020208
EID:

2-s2.0-85100241932

Part of ISSN: 20734344
Contributors: Kowalik, M.; Hossain, M.J.; Lele, A.; Zhu, W.; Banerjee, R.; Granzier-Nakajima, T.; Terrones, M.; Hudson, E.W.; van Duin, A.C.T.
Source: Self-asserted source
Aditya Lele via Scopus - Elsevier
grade
Preferred source (of 2)‎

ReaxFF molecular dynamics study on pyrolysis of bicyclic compounds for aviation fuel

Fuel
2021 | Journal article
DOI: 10.1016/j.fuel.2021.120724
EID:

2-s2.0-85103772152

Part of ISSN: 00162361
Contributors: Lele, A.; Kwon, H.; Ganeshan, K.; Xuan, Y.; van Duin, A.C.T.
Source: Self-asserted source
Aditya Lele via Scopus - Elsevier
grade
Preferred source (of 2)‎

ReaxFF-based molecular dynamics study of bio-derived polycyclic alkanes as potential alternative jet fuels

Fuel
2020 | Journal article
DOI: 10.1016/j.fuel.2020.118548
EID:

2-s2.0-85087392106

Part of ISSN: 00162361
Contributors: Kwon, H.; Lele, A.; Zhu, J.; McEnally, C.S.; Pfefferle, L.D.; Xuan, Y.; van Duin, A.C.T.
Source: Self-asserted source
Aditya Lele via Scopus - Elsevier

Experimental and modeling investigation of no formation mechanism for biodiesel and its blend with methanol

SAE Technical Papers
2019 | Journal article
DOI: 10.4271/2019-01-0217
EID:

2-s2.0-85064590312

Part of ISSN: 01487191
Contributors: Lele, A.; Soni, K.; Narayanaswamy, K.; Krishnasamy, A.
Source: Self-asserted source
Aditya Lele via Scopus - Elsevier
grade
Preferred source (of 2)‎

Autoignition studies of Liquefied Natural Gas (LNG) in a shock tube and a rapid compression machine

Fuel
2018-11 | Journal article
DOI: 10.1016/j.fuel.2018.04.168
Part of ISSN: 0016-2361
Source: Self-asserted source
Aditya Lele
grade
Preferred source (of 2)‎

Experimental and chemical kinetic modeling investigation of methyl butanoate as a component of biodiesel surrogate

Combustion and Flame
2018-11 | Journal article
DOI: 10.1016/j.combustflame.2018.06.033
Part of ISSN: 0010-2180
Source: Self-asserted source
Aditya Lele
grade
Preferred source (of 2)‎

Surrogates for Biodiesel: Review and Challenges

Biofuels
2017 | Book chapter
DOI: 10.1007/978-981-10-3791-7_10
Part of ISBN: 9789811037900
Part of ISBN: 9789811037917
Part of ISSN: 1865-3529
Part of ISSN: 1865-3537
Source: Self-asserted source
Aditya Lele
grade
Preferred source (of 2)‎

Peer review (24 reviews for 12 publications/grants)

Review activity for ACS applied nano materials. (1)
Review activity for Applied energy (3)
Review activity for Carbon. (1)
Review activity for Combustion and flame. (5)
Review activity for Computational materials science. (2)
Review activity for Energy reports. (1)
Review activity for Fuel. (4)
Review activity for Journal of chemical physics. (2)
Review activity for Journal of chemical theory and computation : (1)
Review activity for Journal of environmental chemical engineering. (1)
Review activity for Proceedings of the Combustion Institute. (2)
Review activity for The journal of physical chemistry. (1)
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