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Hire Dr. Siddheshwar C.

Netherlands

USD 50 /hr

Freelancer,PhD (Physics)•10+ years of computational nanoscience research experience•Expert in Scientific Writing,Editing

Profile Summary

I have extensive experience with Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT) applied to graphene and other nanomaterials. My research has resulted in 25 publications in reputed international journals, including 16 single-author papers. I am highly confident in scientific writing and editing, with a strong focus on clarity, precision, and academic integrity.

Subject Matter Expertise

• ☆ Materials Science & Engineering
• ☆ Nanotechnology
• ☆ Quantum Mechanics
• ☆ Computational Physics
• ☆ Applied Physics

Services

• Writing

Writing Non-Medical Regulatory Writing, Technical Writing, Copywriting, Creative Writing

Work Experience

Assistant Professor

Amity University

August 2012 - Present

Research Associate I

Human Energy Research Centre

April 2023 - June 2024

Research Associate I

Human Energy Research Centre

June 2021 - August 2022

Assistant Professor of Physics

Amity University

July 2012 - April 2021

Education

Ph.D. (Physics)

Birla Institute of Technology and Science, Pilani

2004 - 2010

M.Sc. (Physics)

Sri Sathya Sai Institute of Higher Learning

2002 - 2004

B.Sc. (Physics)

Sri Sathya Sai Institute of Higher Learning - Brindavan Campus

1999 - 2002

Certifications

• Ph.D. (Physics)

  Birla Institute of Technology and Science, Pilani, India

  March 2012 - Present

• M.Sc. (Physics)- Specialization in Electronics

  Sri Sathya Sai Institute of Higher Learning

  March 2004 - Present

• B.Sc. (Physics)

  Sri Sathya Sai Institute of Higher Learning

  March 2002 - Present

Publications

JOURNAL ARTICLE

Siddheshwar Chopra, Tian Lu(2020). A DFT/TDDFT and QTAIM based investigation of the titanium-doped Boron-38 cluster . Theoretical Chemistry Accounts. 139. (8). Springer Science and Business Media {LLC}

Siddheshwar Chopra(2020). Performance study of the electronic and optical parameters of thermally activated delayed fluorescence nanosized emitters (CCX-I and CCX-II) via DFT, SCC-DFTB and B97-3c approaches . Journal of Nanostructure in Chemistry. 10. (2). p. 115--124. Springer Science and Business Media {LLC}

Chopra, S., Lu, T.(2020). A DFT/TDDFT and QTAIM based investigation of the titanium-doped Boron-38 cluster . Theoretical Chemistry Accounts. 139. (8).

Ahmoum, H., Su’ait, M.S., Li, G., Chopra, S., Boughrara, M., Wang, Q., Kerouad, M., Rai, D.P.(2020). Electronic and thermoelectric properties of chalcopyrite compounds Cu<inf>2</inf>(XY)S<inf>4</inf> (X = Zn, Cd and Y = Sn, Pb): first-principles study . Indian Journal of Physics.

Ahmoum, H., Su’ait, M.S., Li, G., Chopra, S., Boughrara, M., Wang, Q., Kerouad, M., Rai, D.P.(2020). Electronic and thermoelectric properties of chalcopyrite compounds Cu<inf>2</inf>(XY)S<inf>4</inf> (X = Zn, Cd and Y = Sn, Pb): first-principles study . Indian Journal of Physics.

Ahmoum, H., Boughrara, M., Su&#39;ait, M.S., Li, G., Chopra, S., Wang, Q., Kerouad, M.(2020). Understanding the effect of the carbon on the photovoltaic properties of the Cu2ZnSnS4 . Materials Chemistry and Physics. 251.

Ahmoum, H., Boughrara, M., Su&#39;ait, M.S., Li, G., Chopra, S., Wang, Q., Kerouad, M.(2020). Understanding the effect of the carbon on the photovoltaic properties of the Cu2ZnSnS4 . Materials Chemistry and Physics. 251.

Ahmoum, H., Su’ait, M.S., Li, G., Chopra, S., Boughrara, M., Wang, Q., Kerouad, M., Rai, D.P.(2020). Electronic and thermoelectric properties of chalcopyrite compounds Cu<inf>2</inf>(XY)S<inf>4</inf> (X = Zn, Cd and Y = Sn, Pb): first-principles study . Indian Journal of Physics.

Ahmoum, H., Boughrara, M., Su&#39;ait, M.S., Li, G., Chopra, S., Wang, Q., Kerouad, M.(2020). Understanding the effect of the carbon on the photovoltaic properties of the Cu2ZnSnS4 . Materials Chemistry and Physics. 251.

Chopra, S., Lu, T.(2020). A DFT/TDDFT and QTAIM based investigation of the titanium-doped Boron-38 cluster . Theoretical Chemistry Accounts. 139. (8).

Chopra, S., Lu, T.(2020). A DFT/TDDFT and QTAIM based investigation of the titanium-doped Boron-38 cluster . Theoretical Chemistry Accounts. 139. (8).

Jellal, I., Ahmoum, H., Khaaissa, Y., Nouneh, K., Boughrara, M., Fahoume, M., Chopra, S., Naja, J.(2019). Experimental and ab-initio investigation of the microstructure and optoelectronic properties of FCM–CVD-prepared Al-doped ZnO thin films . Applied Physics A: Materials Science and Processing. 125. (9).

Jellal, I., Ahmoum, H., Khaaissa, Y., Nouneh, K., Boughrara, M., Fahoume, M., Chopra, S., Naja, J.(2019). Experimental and ab-initio investigation of the microstructure and optoelectronic properties of FCM–CVD-prepared Al-doped ZnO thin films . Applied Physics A: Materials Science and Processing. 125. (9).

Jellal, I., Ahmoum, H., Khaaissa, Y., Nouneh, K., Boughrara, M., Fahoume, M., Chopra, S., Naja, J.(2019). Experimental and ab-initio investigation of the microstructure and optoelectronic properties of FCM–CVD-prepared Al-doped ZnO thin films . Applied Physics A: Materials Science and Processing. 125. (9).

Ahmoum, H., Boughrara, M., Su&#39;ait, M.S., Chopra, S., Kerouad, M.(2019). Impact of position and concentration of sodium on the photovoltaic properties of zinc oxide solar cells . Physica B: Condensed Matter. 560. p. 28-36.

Ahmoum, H., Boughrara, M., Su&#39;ait, M.S., Chopra, S., Kerouad, M.(2019). Impact of position and concentration of sodium on the photovoltaic properties of zinc oxide solar cells . Physica B: Condensed Matter. 560. p. 28-36.

Ahmoum, H., Boughrara, M., Su&#39;ait, M.S., Chopra, S., Kerouad, M.(2019). Impact of position and concentration of sodium on the photovoltaic properties of zinc oxide solar cells . Physica B: Condensed Matter. 560. p. 28-36.

Chopra, S.(2019). Optical properties of sub 2 nm long (6,5) single-walled carbon nanotubes: first principles investigation . Molecular Physics. 117. (1). p. 71-78.

Chopra, S.(2019). Optical properties of sub 2 nm long (6,5) single-walled carbon nanotubes: first principles investigation . Molecular Physics. 117. (1). p. 71-78.

Chopra, S.(2019). Optical properties of sub 2 nm long (6,5) single-walled carbon nanotubes: first principles investigation . Molecular Physics. 117. (1). p. 71-78.

Chopra, S.(2018). Boron fullerenes, B<inf>n</inf> (n=20, 30, 38, 40, 50, 60): First principle calculations of electronic and optical properties . Journal of Molecular Graphics and Modelling. 84. p. 90-95.

Chopra, S.(2018). Boron fullerenes, B<inf>n</inf> (n=20, 30, 38, 40, 50, 60): First principle calculations of electronic and optical properties . Journal of Molecular Graphics and Modelling. 84. p. 90-95.

Chopra, S.(2018). Boron fullerenes, B<inf>n</inf> (n=20, 30, 38, 40, 50, 60): First principle calculations of electronic and optical properties . Journal of Molecular Graphics and Modelling. 84. p. 90-95.

Chopra, S.(2018). Exciton size and natural transition orbital investigation in varied graphene forms: High level Ab-intio computations . Nanoscience and Nanotechnology - Asia. 8. (2). p. 229-232.

Chopra, S.(2018). Exciton size and natural transition orbital investigation in varied graphene forms: High level Ab-intio computations . Nanoscience and Nanotechnology - Asia. 8. (2). p. 229-232.

Chopra, S.(2018). Exciton size and natural transition orbital investigation in varied graphene forms: High level Ab-intio computations . Nanoscience and Nanotechnology - Asia. 8. (2). p. 229-232.

Siddheshwar Chopra(2017). Electronic properties and optical absorption of graphene-polyvinylidene fluoride nanocomposites: A theoretical study . Materials Chemistry and Physics. 186. p. 159--166. Elsevier {BV}

Chopra, S.(2017). Electronic properties and optical absorption of graphene-polyvinylidene fluoride nanocomposites: A theoretical study . Materials Chemistry and Physics. 186. p. 159-166.

Chopra, S.(2017). Electronic properties and optical absorption of graphene-polyvinylidene fluoride nanocomposites: A theoretical study . Materials Chemistry and Physics. 186. p. 159-166.

Siddheshwar Chopra and Felix Plasser(2017). UV absorption in metal decorated boron nitride flakes: a theoretical analysis of excited states . Molecular Physics. 115. (19). p. 2469-2477. Taylor & Francis

Chopra, S.(2017). Electronic properties and optical absorption of graphene-polyvinylidene fluoride nanocomposites: A theoretical study . Materials Chemistry and Physics. 186. p. 159-166.

Chopra, S., Plasser, F.(2017). Uv absorption inmetal decorated boron nitride flakes: A theoretical analysis of excited states . Molecular Physics. 115. (19). p. 2469-2477.

Chopra, S., Plasser, F.(2017). Uv absorption inmetal decorated boron nitride flakes: A theoretical analysis of excited states . Molecular Physics. 115. (19). p. 2469-2477.

Chopra, S., Plasser, F.(2017). Uv absorption inmetal decorated boron nitride flakes: A theoretical analysis of excited states . Molecular Physics. 115. (19). p. 2469-2477.

Chopra, S.(2016). Excited state analysis of absorption processes in metal decorated graphene nanoribbons . RSC Advances. 6. (25). p. 20565-20570.

Chopra, S.(2016). Excited state analysis of absorption processes in metal decorated graphene nanoribbons . RSC Advances. 6. (25). p. 20565-20570.

Chopra, S.(2016). Excited state analysis of absorption processes in metal decorated graphene nanoribbons . RSC Advances. 6. (25). p. 20565-20570.

Siddheshwar Chopra(2016). Graphyne and graphdiyne: theoretical insight into ground and excited state properties . RSC Advances. 6. (92). p. 89934--89939. Royal Society of Chemistry ({RSC})

Chopra, S.(2016). Graphyne and graphdiyne: Theoretical insight into ground and excited state properties . RSC Advances. 6. (92). p. 89934-89939.

Chopra, S.(2016). Graphyne and graphdiyne: Theoretical insight into ground and excited state properties . RSC Advances. 6. (92). p. 89934-89939.

Siddheshwar Chopra(2016). Study of electronic and optical properties of pure and metal decorated boron nitride nanoribbons (B15N14H14-X): first principle calculations . Molecular Physics. 114. (13). p. 2074-2080. Taylor & Francis

Chopra, S.(2016). Study of electronic and optical properties of pure and metal decorated boron nitride nanoribbons (B<inf>15</inf>N<inf>14</inf>H<inf>14</inf>-X): first principle calculations . Molecular Physics. 114. (13). p. 2074-2080.

Chopra, S.(2016). Study of electronic and optical properties of pure and metal decorated boron nitride nanoribbons (B<inf>15</inf>N<inf>14</inf>H<inf>14</inf>-X): first principle calculations . Molecular Physics. 114. (13). p. 2074-2080.

Chopra, S.(2016). Study of electronic and optical properties of pure and metal decorated boron nitride nanoribbons (B<inf>15</inf>N<inf>14</inf>H<inf>14</inf>-X): first principle calculations . Molecular Physics. 114. (13). p. 2074-2080.

Chopra, S.(2016). Graphyne and graphdiyne: Theoretical insight into ground and excited state properties . RSC Advances. 6. (92). p. 89934-89939.

Chopra, S.(2015). Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C<inf>29</inf>H<inf>14</inf>-X; X=Ni, Fe, Ti, Co⁺, Al⁺, Cu⁺): First Principles Calculations . ChemPhysChem. 16. (9). p. 1948-1953.

Chopra, S.(2015). Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C<inf>29</inf>H<inf>14</inf>-X; X=Ni, Fe, Ti, Co⁺, Al⁺, Cu⁺): First Principles Calculations . ChemPhysChem. 16. (9). p. 1948-1953.

Chopra, S.(2015). Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C<inf>29</inf>H<inf>14</inf>-X; X=Ni, Fe, Ti, Co⁺, Al⁺, Cu⁺): First Principles Calculations . ChemPhysChem. 16. (9). p. 1948-1953.

Chopra, S. and Rai, B.(2015). DFT/TDDFT study of electronic and optical properties of Surface-passivated Silicon nanocrystals, Sin (n = 20, 24, 26 and 28) . Journal of Nanostructure in Chemistry. 5. (2). p. 195--203.

Chopra, S., Maidich, L.(2014). Optical properties of pure graphene in various forms: A time dependent density functional theory study . RSC Advances. 4. (92). p. 50606-50613.

Chopra, S., Maidich, L.(2014). Optical properties of pure graphene in various forms: A time dependent density functional theory study . RSC Advances. 4. (92). p. 50606-50613.

Chopra, S., Maidich, L.(2014). Optical properties of pure graphene in various forms: A time dependent density functional theory study . RSC Advances. 4. (92). p. 50606-50613.

Chopra, S., Gupta, R.P., Banerjee, S.(2011). Hydrogen dependent surface morphology study of plasma deposited SiN <inf>x</inf>:H films for two gas systems SiH <inf>4</inf>/NH <inf>3</inf> and SiH <inf>4</inf>/N <inf>2</inf> . Journal of Nanoscience and Nanotechnology. 11. (12). p. 11216-11221.

Chopra, S., Gupta, R.P., Banerjee, S.(2011). Hydrogen dependent surface morphology study of plasma deposited SiN <inf>x</inf>:H films for two gas systems SiH <inf>4</inf>/NH <inf>3</inf> and SiH <inf>4</inf>/N <inf>2</inf> . Journal of Nanoscience and Nanotechnology. 11. (12). p. 11216-11221.

Chopra, S., Gupta, R.P., Banerjee, S.(2011). Hydrogen dependent surface morphology study of plasma deposited SiN <inf>x</inf>:H films for two gas systems SiH <inf>4</inf>/NH <inf>3</inf> and SiH <inf>4</inf>/N <inf>2</inf> . Journal of Nanoscience and Nanotechnology. 11. (12). p. 11216-11221.

Chopra, S., Gupta, R.P., Joshi, B.C., Eranna, G., Banerjee, S.(2009). Study of hydrogen passivation in sinx:h films using fourier transform infrared and photoluminescence spectroscopy . Materials Science- Poland. 27. (2). p. 559-568.

Chopra, S., Gupta, R.P., Joshi, B.C., Eranna, G., Banerjee, S.(2009). Study of hydrogen passivation in sinx:h films using fourier transform infrared and photoluminescence spectroscopy . Materials Science- Poland. 27. (2). p. 559-568.

Chopra, S., Gupta, R.P., Joshi, B.C., Eranna, G., Banerjee, S.(2009). Study of hydrogen passivation in sinx:h films using fourier transform infrared and photoluminescence spectroscopy . Materials Science- Poland. 27. (2). p. 559-568.

Krishna, C.B., Dhall, R., Chopra, S., Banerjee, S.(2007). Futuristic memory device: A theoretical modeling . Indian Journal of Physics. 81. (12). p. 1315-1322.

Krishna, C.B., Dhall, R., Chopra, S., Banerjee, S.(2007). Futuristic memory device: A theoretical modeling . Indian Journal of Physics. 81. (12). p. 1315-1322.

Krishna, C.B., Dhall, R., Chopra, S., Banerjee, S.(2007). Futuristic memory device: A theoretical modeling . Indian Journal of Physics. 81. (12). p. 1315-1322.

Artificial Neural Networks Based Indian Stock Market Price Prediction: Before and After Demonetization.

Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C29H14-X; X=Ni, Fe, Ti, Co+, Al+, Cu+): First Principles Calculations @article{doi:10.1002/cphc.201500015, author= {Chopra Siddheshwar}, title= {Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C29H14-X; X=Ni, Fe, Ti, Co+, Al+, Cu+): First Principles Calculations}, journal= {ChemPhysChem}, volume= {16}, number= {9}, pages= {1948-1953}, keywords= {absorption, density functional calculations, doping, emission, graphene}, doi= {10.1002/cphc.201500015}, url= {https://onlinelibrary.wiley.com/doi/abs/10.1002/cphc.201500015}, eprint= {https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.201500015}, abstract= {Abstract Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations were performed with the basis sets 6-31G for DFT and 6-31G(d), 6-31+G(d,p) for TDDFT on pure graphene nanoribbon (GNR) C30H14 and metal-decorated C29H14-X (MGNRs; X=Ni, Fe, Ti, Co+, Al+, and Cu+). The metal/carbon ratio (X:C 3.45 \%) and the doping site were fixed. Electronic properties, that is, the dipole moment, binding energy, and HOMO–LUMO gaps, were calculated. The absorption and emission properties in the visible range (λ=400–720 nm) were determined. Optical gaps, absorption and emission wavelengths, oscillator strengths, and dominant transitions were calculated. Pure graphene was found to be the most stable form. However, of the MGNRs, C29H14Co+ and C29H14Al+ were found to be the most and least stable, respectively. All GNRs were found to have semiconducting nature. The optical absorption of pure graphene undergoes a shift on metal doping. Emission from the pure graphene followed Kasha′s rule, unlike the metal-doped GNRs.}} . ChemPhysChem.

Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C29H14-X; X=Ni, Fe, Ti, Co+, Al+, Cu+): First Principles Calculations @article{doi:10.1002/cphc.201500015, author= {Chopra Siddheshwar}, title= {Study of Electronic, Optical Absorption and Emission in Pure and Metal-Decorated Graphene Nanoribbons (C29H14-X; X=Ni, Fe, Ti, Co+, Al+, Cu+): First Principles Calculations}, journal= {ChemPhysChem}, volume= {16}, number= {9}, pages= {1948-1953}, keywords= {absorption, density functional calculations, doping, emission, graphene}, doi= {10.1002/cphc.201500015}, url= {https://onlinelibrary.wiley.com/doi/abs/10.1002/cphc.201500015}, eprint= {https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.201500015}, abstract= {Abstract Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations were performed with the basis sets 6-31G for DFT and 6-31G(d), 6-31+G(d,p) for TDDFT on pure graphene nanoribbon (GNR) C30H14 and metal-decorated C29H14-X (MGNRs; X=Ni, Fe, Ti, Co+, Al+, and Cu+). The metal/carbon ratio (X:C 3.45 \%) and the doping site were fixed. Electronic properties, that is, the dipole moment, binding energy, and HOMO–LUMO gaps, were calculated. The absorption and emission properties in the visible range (λ=400–720 nm) were determined. Optical gaps, absorption and emission wavelengths, oscillator strengths, and dominant transitions were calculated. Pure graphene was found to be the most stable form. However, of the MGNRs, C29H14Co+ and C29H14Al+ were found to be the most and least stable, respectively. All GNRs were found to have semiconducting nature. The optical absorption of pure graphene undergoes a shift on metal doping. Emission from the pure graphene followed Kasha′s rule, unlike the metal-doped GNRs.}} . ChemPhysChem.

CONFERENCE PAPER

Chopra, S., Gupta, R.P., Banerjee, S.(2010). Hydrogen dependent surface morphology study of plasma deposited SiN <inf>x</inf>:H films for two gas systems SiH<inf>4</inf>/NH<inf>3</inf> and SiH<inf>4</inf>/N<inf>2</inf> . INEC 2010 - 2010 3rd International Nanoelectronics Conference, Proceedings. p. 376-377.

Chopra, S., Gupta, R.P., Banerjee, S.(2010). Hydrogen dependent surface morphology study of plasma deposited SiN <inf>x</inf>:H films for two gas systems SiH<inf>4</inf>/NH<inf>3</inf> and SiH<inf>4</inf>/N<inf>2</inf> . INEC 2010 - 2010 3rd International Nanoelectronics Conference, Proceedings. p. 376-377.

Chopra, S., Gupta, R.P., Banerjee, S.(2010). Hydrogen dependent surface morphology study of plasma deposited SiN <inf>x</inf>:H films for two gas systems SiH<inf>4</inf>/NH<inf>3</inf> and SiH<inf>4</inf>/N<inf>2</inf> . INEC 2010 - 2010 3rd International Nanoelectronics Conference, Proceedings. p. 376-377.

Krishna, CB and Dhall, R and Chopra, S and Banerjee, S(2007). Futuristic memory device: a theoretical modeling. INDIAN JOURNAL OF PHYSICS AND PROCEEDINGS OF THE INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE. 81. (12). p. 1315--1322.