Personal information

Density Functional Theory, Molecular Dynamics, Multiscale Modelling, Lubricants with Solids for frictions, Electrolytes in Li-ion batteries
India, France, Belgium, Netherlands

Biography

I am a computational chemist, with expertise in multiscale modeling investigation of heat-storage materials, biomass and biorefinery, lubricant materials, and electrolytes for lithium-ion batteries.
Currently, I am working as a post-doctoral researcher at TU/e, The Netherlands, where I focus on a machine-learning approach to parameterize reactive force fields for heat-storage materials.

Activities

Employment (3)

Eindhoven University of Technology: Eindhoven, Noord-Brabant, NL

2022-10-01 to present | Post-doctoral reseacher (Department of Mechanical Engineering)
Employment
Source: Self-asserted source
Veerapandian Ponnuchamy

InnoRenew CoE: Izola, SI

2019-02 to 2022-09-30 | Researcher (Wood Modification Group)
Employment
Source: Self-asserted source
Veerapandian Ponnuchamy

Abylsen and Toyota Motor Europe: Brussels, BE

2015-11-02 to 2018-02-28 | Research Associate (Contractor) (Materials design)
Employment
Source: Self-asserted source
Veerapandian Ponnuchamy

Education and qualifications (3)

Grenoble Alpes University: Saint-Martin-d'Hères, FR

2011-11-27 to 2015-01-23 | Doctorate in Physics (The French Alternative Energies and Atomic Energy Commission (CEA))
Education
Source: Self-asserted source
Veerapandian Ponnuchamy

Bharathidasan University: Tiruchirappalli, Tamil Nadu, IN

2009-06-01 to 2011-04-30 | Master of Science (School of Chemistry)
Education
Source: Self-asserted source
Veerapandian Ponnuchamy

Ayya Nadar Janaki Ammal College: Sivakasi, Tamil Nadu, IN

2006-06-01 to 2009-04-30 | Bachelor of Science (Department of Chemistry)
Education
Source: Self-asserted source
Veerapandian Ponnuchamy

Professional activities (1)

European Cooperation in Science and Technology: Brussels, BE

2019 to present | COST action memer for Slovenia of the project titled "Computational materials sciences for efficient water splitting with nanocrystals from abundant elements"
Membership
Source: Self-asserted source
Veerapandian Ponnuchamy

Works (17)

Advanced Molecular Dynamics Model for Investigating Biological-Origin Microfibril Structures

ACS Omega
2024-06-18 | Journal article
Contributors: Veerapandian Ponnuchamy; Anna Sandak; Jakub Sandak
Source: check_circle
Crossref

Multiscale modeling studies for exploring lignocellulosic biomass structure

Advanced Catalysis for Drop-in Chemicals
2022 | Book chapter
Part of ISBN: 9780128238271
Source: Self-asserted source
Veerapandian Ponnuchamy

Density functional theory study of lignin, carboxymethylcellulose and unsustainable binders with graphene for electrodes in lithium-ion batteries

Applied Surface Science
2021-10-09 | Journal article
Part of ISSN: 0169-4332
Source: Self-asserted source
Veerapandian Ponnuchamy

A Review of Recent Developments in Molecular Dynamics Simulations of the Photoelectrochemical Water Splitting Process

Catalysts
2021-06-30 | Journal article
Contributors: Nicolae Goga; Leonhard Mayrhofer; Ionut Tranca; Silvia Nedea; Koen Heijmans; Veerapandian Ponnuchamy; Andrei Vasilateanu
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Hybrid Approach for Wood Modification: Characterization and Evaluation of Weathering Resistance of Coatings on Acetylated Wood

Coatings
2021-05-30 | Journal article
Contributors: Anna Sandak; Edit Földvári-Nagy; Faksawat Poohphajai; Rene Herrera Diaz; Oihana Gordobil; Nežka Sajinčič; Veerapandian Ponnuchamy; Jakub Sandak
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Revealing of Supercritical Water Gasification Process of Lignin by Reactive Force Field Molecular Dynamics Simulations

Processes
2021-04-18 | Journal article
Contributors: Veerapandian Ponnuchamy; Jakub Sandak; Anna Sandak
Source: check_circle
Crossref
grade
Preferred source (of 3)‎

Nondestructive Evaluation of Heritage Object Coatings with Four Hyperspectral Imaging Systems

Coatings
2021-02-18 | Journal article
Contributors: Jakub Sandak; Anna Sandak; Lea Legan; Klara Retko; Maša Kavčič; Janez Kosel; Faksawat Poohphajai; Rene Herrera Diaz; Veerapandian Ponnuchamy; Nežka Sajinčič et al.
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

A theoretical investigation of different point charges combined with GAFF and OPLS-AA for acetic anhydride

Chemical Physics Letters
2020 | Journal article
Source: Self-asserted source
Veerapandian Ponnuchamy
grade
Preferred source (of 3)‎

Multiscale modelling investigation of wood modification with acetic anhydride

Physical Chemistry Chemical Physics
2020 | Journal article
Contributors: Veerapandian Ponnuchamy; Anna Sandak; Jakub Sandak
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Fractionation of lignin using organic solvents: A combined experimental and theoretical study

International Journal of Biological Macromolecules
2020-11 | Journal article
Part of ISSN: 0141-8130
Source: Self-asserted source
Veerapandian Ponnuchamy
grade
Preferred source (of 2)‎

Solvent and Salt Effect on Lithium Ion Solvation and Contact Ion Pair Formation in Organic Carbonates: A Quantum Chemical Perspective

The Journal of Physical Chemistry C
2018-10-25 | Journal article
Source: Self-asserted source
Veerapandian Ponnuchamy
grade
Preferred source (of 2)‎

Molecular dynamics investigation of a model ionic liquid lubricant for automotive applications

Tribology International
2017 | Journal article
EID:

2-s2.0-85010653008

Part of ISSN: 0301679X
Contributors: Gkagkas, K.; Ponnuchamy, V.; Dašić, M.; Stanković, I.
Source: Self-asserted source
Veerapandian Ponnuchamy via Scopus - Elsevier

The impact of coulombic interactions among polar molecules and metal substrates on flow and lubrication properties

Modelling and Simulation in Materials Science and Engineering
2017 | Journal article
EID:

2-s2.0-85027276474

Part of ISSN: 1361651X 09650393
Contributors: Gkagkas, K.; Ponnuchamy, V.
Source: Self-asserted source
Veerapandian Ponnuchamy via Scopus - Elsevier

The Anion Effect on Li<sup>+</sup> Ion Coordination Structure in Ethylene Carbonate Solutions

Journal of Physical Chemistry Letters
2016 | Journal article
EID:

2-s2.0-84987784908

Part of ISSN: 19487185
Contributors: Jiang, B.; Ponnuchamy, V.; Shen, Y.; Yang, X.; Yuan, K.; Vetere, V.; Mossa, S.; Skarmoutsos, I.; Zhang, Y.; Zheng, J.
Source: Self-asserted source
Veerapandian Ponnuchamy via Scopus - Elsevier

Li<sup>+</sup> solvation in pure, binary, and ternary mixtures of organic carbonate electrolytes

Journal of Physical Chemistry C
2015 | Journal article
EID:

2-s2.0-84924187909

Part of ISSN: 19327455 19327447
Contributors: Skarmoutsos, I.; Ponnuchamy, V.; Vetere, V.; Mossa, S.
Source: Self-asserted source
Veerapandian Ponnuchamy via Scopus - Elsevier

Towards A Better Understanding of Lithium Ion Local Environment in Pure, Binary and Ternary Mixtures of Carbonate Solvents: A Numerical Approach

2015 | Dissertation or Thesis
Source: Self-asserted source
Veerapandian Ponnuchamy

Tuning nonlinear optical and optoelectronic properties of vinyl coupled triazene chromophores: A density functional theory and time-dependent density functional theory investigation

Journal of Physical Chemistry A
2012 | Journal article
EID:

2-s2.0-84962467493

Contributors: Solomon, R.V.; Veerapandian, P.; Vedha, S.A.; Venuvanalingam, P.
Source: Self-asserted source
Veerapandian Ponnuchamy via Scopus - Elsevier

Peer review (4 reviews for 3 publications/grants)

Review activity for Biomass conversion and biorefinery. (1)
Review activity for Nature communications (1)
Review activity for Waste and biomass valorization. (2)