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Employment (3)

Stony Brook University: Stony Brook, NY, US

2020-09-01 to present | Assistant Professor (Materials Science and Chemical Engineering)
Employment
Source: Self-asserted source
Nav Nidhi Rajput

Tufts University: Medford, MA, US

2018-09-01 to 2020-08-31 | Assistant Professor (Chemical and Biological Engineering)
Employment
Source: Self-asserted source
Nav Nidhi Rajput

E O Lawrence Berkeley National Laboratory: Berkeley, CA, US

2013-04-08 to 2016-12-01 | post doctorate (energy technologies area)
Employment
Source: Self-asserted source
Nav Nidhi Rajput

Education and qualifications (2)

Louisiana State University: Baton Rouge, LA, US

2011-01-01 to 2013-04-01 | Ph.D. (Department of chemical engineering)
Education
Source: Self-asserted source
Nav Nidhi Rajput

Louisiana State University: baton rouge, Louisian, US

2008-08-01 to 2011-01-01 | M.S. (Department of chemical engineering)
Education
Source: Self-asserted source
Nav Nidhi Rajput

Works (17)

Knowledge-driven design of fluorinated ether electrolytes via a multi-model approach

2024-05-10 | Preprint
DOI: 10.21203/rs.3.rs-4364688/v1
Contributors: Nav Nidhi Rajput; Rasha Atwi; Daniel Gribble; Dan Thien Nguyen; Minyung Song; Agrim Babbar; vijayakumar murugesan; Vilas Pol
Source: check_circle
Crossref

Guiding maps of solvents for lithium-sulfur batteries via a computational data-driven approach

Patterns
2023-09 | Journal article | Author
DOI: 10.1016/j.patter.2023.100799
Part of ISSN: 2666-3899
Contributors: Rasha Atwi; Nav Nidhi Rajput
Source: Self-asserted source
Nav Nidhi Rajput
grade
Preferred source (of 2)‎

Non-polar ether-based electrolyte solutions for stable high-voltage non-aqueous lithium metal batteries

Nature Communications
2023-02-16 | Journal article
DOI: 10.1038/s41467-023-36647-1
Part of ISSN: 2041-1723
Contributors: Zheng Li; Harsha Rao; Rasha Atwi; Bhuvaneswari M. Sivakumar; Bharat Gwalani; Scott Gray; Kee Sung Han; Thomas A. Everett; Tanvi A. Ajantiwalay; M. Vijayakumar et al.
Source: Self-asserted source
Nav Nidhi Rajput

MISPR: an open-source package for high-throughput multiscale molecular simulations

Scientific Reports
2022-09-21 | Journal article
DOI: 10.1038/s41598-022-20009-w
Part of ISSN: 2045-2322
Contributors: Rasha Atwi; Matthew Bliss; Maxim Makeev; Nav Nidhi Rajput
Source: Self-asserted source
Nav Nidhi Rajput

An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions

Nature Computational Science
2022-02-28 | Journal article | Author
DOI: 10.1038/s43588-022-00200-9
Part of ISSN: 2662-8457
Contributors: Rasha Atwi; Ying Chen; Kee Sung Han; Karl Mueller; Vijayakumar Murugesan; Nav Nidhi Rajput
Source: Self-asserted source
Nav Nidhi Rajput
grade
Preferred source (of 2)‎

Rapid Upcycling of Waste Polyethylene Terephthalate to Energy Storing Disodium Terephthalate Flowers with DFT Calculations

ACS Sustainable Chemistry & Engineering
2020-04-27 | Journal article
DOI: 10.1021/acssuschemeng.9b07684
Contributors: Sourav Ghosh; Maxim A. Makeev; Zhimin Qi; Haiyan Wang; Nav Nidhi Rajput; Surendra K. Martha; Vilas G. Pol
Source: check_circle
Crossref

Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-Dioxolane and 1,2-Dimethoxyethane

Chemistry of Materials
2019-04-09 | Journal article
DOI: 10.1021/acs.chemmater.8b03944
Contributors: Amity Andersen; Nav Nidhi Rajput; Kee Sung Han; Huilin Pan; Niranjan Govind; Kristin A. Persson; Karl T. Mueller; Vijayakumar Murugesan
Source: check_circle
Crossref

Computational screening of electrolyte materials: status quo and open problems

Current Opinion in Chemical Engineering
2019-03 | Journal article
DOI: 10.1016/j.coche.2019.02.008
Part of ISSN: 2211-3398
Contributors: Maxim A Makeev; Nav Nidhi Rajput
Source: Self-asserted source
Nav Nidhi Rajput

The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF6 and LiAsF6 in Dimethyl Carbonate

The Journal of Physical Chemistry C
2018-02-01 | Journal article
DOI: 10.1021/acs.jpcc.7b11060
Contributors: Julian Self; Brandon M. Wood; Nav Nidhi Rajput; Kristin A. Persson
Source: check_circle
Crossref

Effects of Anion Mobility on Electrochemical Behaviors of Lithium–Sulfur Batteries

Chemistry of Materials
2017-11-14 | Journal article
DOI: 10.1021/acs.chemmater.7b02105
Contributors: Kee Sung Han; Junzheng Chen; Ruiguo Cao; Nav Nidhi Rajput; Vijayakumar Murugesan; Lili Shi; Huilin Pan; Ji-Guang Zhang; Jun Liu; Kristin A. Persson et al.
Source: check_circle
Crossref

Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth

Nature Energy
2017-09-25 | Journal article
DOI: 10.1038/s41560-017-0005-z
Contributors: Huilin Pan; Junzheng Chen; Ruiguo Cao; Vijay Murugesan; Nav Nidhi Rajput; Kee Sung Han; Kristin Persson; Luis Estevez; Mark H. Engelhard; Ji-Guang Zhang et al.
Source: check_circle
Crossref

Computational Design of New Magnesium Electrolytes with Improved Properties

The Journal of Physical Chemistry C
2017-08-03 | Journal article
DOI: 10.1021/acs.jpcc.7b04516
Contributors: Xiaohui Qu; Yong Zhang; Nav Nidhi Rajput; Anubhav Jain; Edward Maginn; Kristin A. Persson
Source: check_circle
Crossref

Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides Resulting from Competitive Salt and Solvent Interactions

Chemistry of Materials
2017-04-25 | Journal article
DOI: 10.1021/acs.chemmater.7b00068
Contributors: Nav Nidhi Rajput; Vijayakumar Murugesan; Yongwoo Shin; Kee Sung Han; Kah Chun Lau; Junzheng Chen; Jun Liu; Larry A. Curtiss; Karl T. Mueller; Kristin A. Persson
Source: check_circle
Crossref

The Electrolyte Genome project: A big data approach in battery materials discovery

Computational Materials Science
2015-06 | Journal article
DOI: 10.1016/j.commatsci.2015.02.050
Part of ISSN: 0927-0256
Contributors: Xiaohui Qu; Anubhav Jain; Nav Nidhi Rajput; Lei Cheng; Yong Zhang; Shyue Ping Ong; Miriam Brafman; Edward Maginn; Larry A. Curtiss; Kristin A. Persson
Source: Self-asserted source
Nav Nidhi Rajput
grade
Preferred source (of 2)‎

The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics

Journal of the American Chemical Society
2015-03-11 | Journal article
DOI: 10.1021/jacs.5b01004
Part of ISSN: 0002-7863
Part of ISSN: 1520-5126
Contributors: Nav Nidhi Rajput; Xiaohui Qu; Niya Sa; Anthony K. Burrell; Kristin A. Persson
Source: Self-asserted source
Nav Nidhi Rajput

Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening

The Journal of Physical Chemistry Letters
2015-01-15 | Journal article
DOI: 10.1021/jz502319n
Part of ISSN: 1948-7185
Part of ISSN: 1948-7185
Contributors: Lei Cheng; Rajeev S. Assary; Xiaohui Qu; Anubhav Jain; Shyue Ping Ong; Nav Nidhi Rajput; Kristin Persson; Larry A. Curtiss
Source: Self-asserted source
Nav Nidhi Rajput

On the Influence of Pore Size and Pore Loading on Structural and Dynamical Heterogeneities of an Ionic Liquid Confined in a Slit Nanopore

The Journal of Physical Chemistry C
2012-03-01 | Journal article
DOI: 10.1021/jp212440f
Part of ISSN: 1932-7447
Part of ISSN: 1932-7455
Contributors: Nav Nidhi Rajput; Joshua Monk; Ramesh Singh; Francisco R. Hung
Source: Self-asserted source
Nav Nidhi Rajput

Peer review (15 reviews for 6 publications/grants)

Review activity for ACS energy letters. (2)
Review activity for Journal of chemical information and modeling. (3)
Review activity for Journal of physical chemistry. (7)
Review activity for Nature chemistry. (1)
Review activity for Nature communications (1)
Review activity for Nature computational science. (1)
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