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PhD in Computational Chemistry | EdTech & AI/VR Innovator | Grant & Tech Writer | Molecules & Materials R&D

Profile Summary
Subject Matter Expertise
Services
Writing Technical Writing, Audio Transcription
Research Market Research, Technology Scouting, Scientific and Technical Research
Consulting Business Strategy Consulting, Scientific and Technical Consulting
Work Experience

Senior Research Scientist & Manager

VALTEP Inc. USA (Remote) & DASCEQ India Pvt. Ltd.

December 2022 - February 2025

Postdoctoral Research Associate

Mississippi State University

May 2019 - October 2022

Post doc

University of Stuttgart

June 2017 - December 2018

Education

Ph.D. (Theoretical and Computational Chemistry) (School of Chemistry)

Indian Institute of Science Education Research Thiruvananthapuram

January 2012 - June 2017

Certifications

  • PG Diploma in Hardware and Networking

    BDPS Inc.

    July 2008 - Present

Publications
JOURNAL ARTICLE
Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors <head> <META HTTP-EQUIV="Refresh" CONTENT="0;URL=/servlet/useragent"> </head> . Nature Communications.
Chen, Z., Li, W., Sabuj, M.A., Li, Y., Zhu, W., Zeng, M., Sarap, C.S., Huda, M.M., Qiao, X., Peng, X., et al.(2021). Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors . Nature Communications. 12. (1).
Chen, Z., Li, W., Sabuj, M.A., Li, Y., Zhu, W., Zeng, M., Sarap, C.S., Huda, M.M., Qiao, X., Peng, X., et al.(2021). Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors . Nature Communications. 12. (1).
Sarap, Chandra Shekar, Sabuj, Md Abdus, Huda, Md Masrul, Rai, Neeraj (2021). Benzobisthiadiazole-based high-spin donor-acceptor conjugated polymers with localized spin distribution . Materials Advances.
Sabuj, M.A., Huda, M.M., Sarap, C.S., Rai, N.(2021). Benzobisthiadiazole-based high-spin donor-acceptor conjugated polymers with localized spin distribution . Materials Advances. 2. (9). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2943-2955.
Md Abdus Sabuj and Md Masrul Huda and Chandra Shekar Sarap and Neeraj Rai(2021). Benzobisthiadiazole-based high-spin donor–acceptor conjugated polymers with localized spin distribution . Materials Advances. 2. (9). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2943--2955. Royal Society of Chemistry ({RSC})
Sabuj, M.A., Huda, M.M., Sarap, C.S., Rai, N.(2021). Benzobisthiadiazole-based high-spin donor-acceptor conjugated polymers with localized spin distribution . Materials Advances. 2. (9). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2943-2955.
Sabuj, M.A., Huda, M.M., Sarap, C.S., Rai, N.(2021). Benzobisthiadiazole-based high-spin donor-acceptor conjugated polymers with localized spin distribution . Materials Advances. 2. (9). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2943-2955.
Chen, Z., Li, W., Sabuj, M.A., Li, Y., Zhu, W., Zeng, M., Sarap, C.S., Huda, M.M., Qiao, X., Peng, X., et al.(2021). Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors . Nature Communications. 12. (1).
Chandra Shekar Sarap, Miftahussurur Hamidi Putra, Maria Fyta (2020). Domain-size effect on the electronic properties of two-dimensional MoS2/WS2 . Physical Review B.
Sarap, Chandra Shekar, Putra, Miftahussurur Hamidi, Fyta, Maria (2020). Domain-size effect on the electronic properties of two-dimensional MoS2/WS2 . Physical Review B.
Sarap, C.S., Putra, M.H., Fyta, M.(2020). Domain-size effect on the electronic properties of two-dimensional MoS2/WS2 . Physical Review B. 101. (7).
Sarap, C.S., Putra, M.H., Fyta, M.(2020). Domain-size effect on the electronic properties of two-dimensional MoS2/WS2 . Physical Review B. 101. (7).
Sarap, C.S., Putra, M.H., Fyta, M.(2020). Domain-size effect on the electronic properties of two-dimensional MoS2/WS2 . Physical Review B. 101. (7).
Chandra Shekar Sarap, Pouya Partovi‐Azar, Maria Fyta(2019). In silico Complexes of Amino Acids and Diamondoids . ChemPhysChem. Wiley
(2019). 2D MoS 2 nanopores: ionic current blockade height for clustering DNA events . 2D Materials.
(2019). Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing . The European Physical Journal Special Topics.
Maier, Frank C., Sarap, Chandra S., Dou, Maofeng, Sivaraman, Ganesh, Fyta, Maria (2019). Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing . The European Physical Journal Special Topics.
Maier, F.C., Sarap, C.S., Dou, M., Sivaraman, G., Fyta, M.(2019). Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing . European Physical Journal: Special Topics. 227. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1681-1692.
Maier, F.C., Sarap, C.S., Dou, M., Sivaraman, G., Fyta, M.(2019). Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing . European Physical Journal: Special Topics. 227. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1681-1692.
Maier, F.C., Sarap, C.S., Dou, M., Sivaraman, G., Fyta, M.(2019). Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing . European Physical Journal: Special Topics. 227. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1681-1692.
Chandra Shekar Sarap, Pouya Partovi-Azar, Maria Fyta(2019). Enhancing the optical detection of mutants from healthy DNA with diamondoids . Journal of Materials Chemistry B. Royal Society of Chemistry ({RSC})
Sarap, Chandra Shekar, Partovi-Azar, Pouya, Fyta, Maria (2019). Enhancing the optical detection of mutants from healthy DNA with diamondoids . Journal of Materials Chemistry B.
Sarap, C.S., Partovi-Azar, P., Fyta, M.(2019). Enhancing the optical detection of mutants from healthy DNA with diamondoids . Journal of Materials Chemistry B. 7. (21). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3424-3430.
Sarap, C.S., Partovi-Azar, P., Fyta, M.(2019). Enhancing the optical detection of mutants from healthy DNA with diamondoids . Journal of Materials Chemistry B. 7. (21). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3424-3430.
Sarap, C.S., Partovi-Azar, P., Fyta, M.(2019). Enhancing the optical detection of mutants from healthy DNA with diamondoids . Journal of Materials Chemistry B. 7. (21). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3424-3430.
Diaz Carral, A., Shekar Sarap, C., Liu, K., Radenovic, A., Fyta, M.(2019). 2D MoS<sub>2</sub> nanopores: Ionic current blockade height for clustering DNA events . 2D Materials. 6. (4).
Diaz Carral, A., Shekar Sarap, C., Liu, K., Radenovic, A., Fyta, M.(2019). 2D MoS<sub>2</sub> nanopores: Ionic current blockade height for clustering DNA events . 2D Materials. 6. (4).
Diaz Carral, A., Shekar Sarap, C., Liu, K., Radenovic, A., Fyta, M.(2019). 2D MoS<sub>2</sub> nanopores: Ionic current blockade height for clustering DNA events . 2D Materials. 6. (4).
Sarap, Chandra Shekar, Partovi-Azar, Pouya, Fyta, Maria (2019). In silico Complexes of Amino Acids and Diamondoids . ChemPhysChem.
Partovi-Azar, P., Sarap, C.S., Fyta, M.(2019). In silico Complexes of Amino Acids and Diamondoids . ChemPhysChem. 20. (17). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2166-2170.
Partovi-Azar, P., Sarap, C.S., Fyta, M.(2019). In silico Complexes of Amino Acids and Diamondoids . ChemPhysChem. 20. (17). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2166-2170.
Partovi-Azar, P., Sarap, C.S., Fyta, M.(2019). In silico Complexes of Amino Acids and Diamondoids . ChemPhysChem. 20. (17). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2166-2170.
Sarap, Chandra Shekar, Carral, Angel Diaz, Liu, Ke, Radenovic, Aleksandra, Fyta, Maria (2019). 2D MoS2 nanopores: ionic current blockade height for clustering DNA events . 2D Materials.
Chandra Shekar Sarap, Pouya Partovi-Azar, Maria Fyta(2018). Optoelectronic Properties of Diamondoid-DNA Complexes . ACS Applied Bio Materials. 1. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 59--69. American Chemical Society ({ACS})
Chandra Shekar Sarap, Bibek Adhikari, Sheng Meng, Frank Uhlig, Maria Fyta(2018). Optical Properties of Single- and Double-Functionalized Small Diamondoids . The Journal of Physical Chemistry A. 122. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3583--3593. American Chemical Society ({ACS})
Sarap, Chandra Shekar, Adhikari, Bibek, Meng, Sheng, Uhlig, Frank, Fyta, Maria (2018). Optical Properties of Single- and Double-Functionalized Small Diamondoids . The Journal of Physical Chemistry A.
Sarap, C.S., Adhikari, B., Meng, S., Uhlig, F., Fyta, M.(2018). Optical Properties of Single- and Double-Functionalized Small Diamondoids . Journal of Physical Chemistry A. 122. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3583-3593.
Sarap, C.S., Adhikari, B., Meng, S., Uhlig, F., Fyta, M.(2018). Optical Properties of Single- and Double-Functionalized Small Diamondoids . Journal of Physical Chemistry A. 122. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3583-3593.
Sarap, C.S., Adhikari, B., Meng, S., Uhlig, F., Fyta, M.(2018). Optical Properties of Single- and Double-Functionalized Small Diamondoids . Journal of Physical Chemistry A. 122. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3583-3593.
James, Anto, John, Chris, Owais, Cheriyacheruvakkara, Myakala, Stephen Nagaraju, Shekar, Sarap Chandra, Choudhuri, Jyoti Roy, Swathi, Rotti Srinivasamurthy (2018). Graphynes: indispensable nanoporous architectures in carbon flatland . RSC Advances.
(2018). Graphynes: indispensable nanoporous architectures in carbon flatland . RSC Advances.
James, A., John, C., Owais, C., Myakala, S.N., Chandra Shekar, S., Choudhuri, J.R., Swathi, R.S.(2018). Graphynes: Indispensable nanoporous architectures in carbon flatland . RSC Advances. 8. (41). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 22998-23018.
James, A., John, C., Owais, C., Myakala, S.N., Chandra Shekar, S., Choudhuri, J.R., Swathi, R.S.(2018). Graphynes: Indispensable nanoporous architectures in carbon flatland . RSC Advances. 8. (41). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 22998-23018.
James, A., John, C., Owais, C., Myakala, S.N., Chandra Shekar, S., Choudhuri, J.R., Swathi, R.S.(2018). Graphynes: Indispensable nanoporous architectures in carbon flatland . RSC Advances. 8. (41). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 22998-23018.
Chandra Shekar, Sarap, Swathi, Rotti Srinivasamurthy(2018). Molecular switching on graphyne and graphdiyne: Realizing functional carbon networks in synergy with graphene . Carbon. 126. (Supplement C). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 489-499.
Shekar, Sarap Chandra, Swathi, Rotti Srinivasamurthy (2018). Molecular switching on graphyne and graphdiyne: Realizing functional carbon networks in synergy with graphene . Carbon.
Chandra Shekar, S., Swathi, R.S.(2018). Molecular switching on graphyne and graphdiyne: Realizing functional carbon networks in synergy with graphene . Carbon. 126. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 489-499.
Chandra Shekar, S., Swathi, R.S.(2018). Molecular switching on graphyne and graphdiyne: Realizing functional carbon networks in synergy with graphene . Carbon. 126. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 489-499.
Chandra Shekar, S., Swathi, R.S.(2018). Molecular switching on graphyne and graphdiyne: Realizing functional carbon networks in synergy with graphene . Carbon. 126. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 489-499.
Sarap, Chandra Shekar, Partovi-Azar, Pouya, Fyta, Maria (2018). Optoelectronic Properties of Diamondoid-DNA Complexes . ACS Applied Bio Materials.
Sarap, C.S., Partovi-Azar, P., Fyta, M.(2018). Optoelectronic Properties of Diamondoid-DNA Complexes . ACS Applied Bio Materials. 1. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 59-69.
Sarap, C.S., Partovi-Azar, P., Fyta, M.(2018). Optoelectronic Properties of Diamondoid-DNA Complexes . ACS Applied Bio Materials. 1. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 59-69.
Sarap, C.S., Partovi-Azar, P., Fyta, M.(2018). Optoelectronic Properties of Diamondoid-DNA Complexes . ACS Applied Bio Materials. 1. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 59-69.
Shekar, S. Chandra, Kumar Meena, Sanjay, Swathi, R. S.(2017). Interlocked benzenes in triangular [small pi]-architectures: anchoring groups dictate ion binding and transmission . Physical Chemistry Chemical Physics. 19. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 10264-10273.
Shekar, S. Chandra, Meena, Sanjay Kumar, Swathi, R. S. (2017). Interlocked benzenes in triangular pi-architectures: anchoring groups dictate ion binding and transmission . Physical Chemistry Chemical Physics.
Shekar, S.C., Kumar Meena, S., Swathi, R.S.(2017). Interlocked benzenes in triangular π-architectures: Anchoring groups dictate ion binding and transmission . Physical Chemistry Chemical Physics. 19. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 10264-10273.
Shekar, S.C., Kumar Meena, S., Swathi, R.S.(2017). Interlocked benzenes in triangular π-architectures: Anchoring groups dictate ion binding and transmission . Physical Chemistry Chemical Physics. 19. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 10264-10273.
Shekar, S.C., Kumar Meena, S., Swathi, R.S.(2017). Interlocked benzenes in triangular π-architectures: Anchoring groups dictate ion binding and transmission . Physical Chemistry Chemical Physics. 19. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 10264-10273.
Thomas, Tony George, Chandra Shekar, Sarap, Swathi, Rotti Srinivasamurthy, Gopidas, Karical Raman(2017). Triazatruxene radical cation: a trigonal class III mixed valence system . RSC Advances. 7. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 821-825.
Thomas, Tony George, Shekar, Sarap Chandra, Swathi, Rotti Srinivasamurthy, Gopidas, Karical Raman (2017). Triazatruxene radical cation: a trigonal class III mixed valence system . RSC Advances.
Thomas, T.G., Chandra Shekar, S., Swathi, R.S., Gopidas, K.R.(2017). Triazatruxene radical cation: A trigonal class III mixed valence system . RSC Advances. 7. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 821-825.
Thomas, T.G., Chandra Shekar, S., Swathi, R.S., Gopidas, K.R.(2017). Triazatruxene radical cation: A trigonal class III mixed valence system . RSC Advances. 7. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 821-825.
Thomas, T.G., Chandra Shekar, S., Swathi, R.S., Gopidas, K.R.(2017). Triazatruxene radical cation: A trigonal class III mixed valence system . RSC Advances. 7. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 821-825.
Shekar, S. Chandra, Swathi, R. S. (2015). Cation-pi Interactions and Rattling Motion through Two-Dimensional Carbon Networks: Graphene vs Graphynes . The Journal of Physical Chemistry C.
Cation−π Interactions and Rattling Motion through Two-Dimensional Carbon Networks: Graphene vs Graphynes @article{RID:1220171035127-4, title = {Cation−π Interactions and Rattling Motion through Two-Dimensional Carbon Networks: Graphene vs Graphynes}, journal = {The Journal of Physical Chemistry C}, year = {2015}, author = {Shekar, S. Chandra and Swathi, R. S.}, volume = {119}, number = {16}, pages = {8912-8923} } . The Journal of Physical Chemistry C.
Shekar, S.C., Swathi, R.S.(2015). Cation-π interactions and rattling motion through two-dimensional carbon networks: Graphene vs graphynes . Journal of Physical Chemistry C. 119. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8912-8923.
Shekar, S.C., Swathi, R.S.(2015). Cation-π interactions and rattling motion through two-dimensional carbon networks: Graphene vs graphynes . Journal of Physical Chemistry C. 119. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8912-8923.
Shekar, S.C., Swathi, R.S.(2015). Cation-π interactions and rattling motion through two-dimensional carbon networks: Graphene vs graphynes . Journal of Physical Chemistry C. 119. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8912-8923.
Chandra Shekar, S., Swathi, R. S.(2014). Stability of Nucleobases and Base Pairs Adsorbed on Graphyne and Graphdiyne . The Journal of Physical Chemistry C. 118. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4516-4528.
Shekar, S. Chandra, Swathi, R. S. (2014). Stability of Nucleobases and Base Pairs Adsorbed on Graphyne and Graphdiyne . The Journal of Physical Chemistry C.
Chandra Shekar, S., Swathi, R.S.(2014). Stability of nucleobases and base pairs adsorbed on graphyne and graphdiyne . Journal of Physical Chemistry C. 118. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4516-4528.
Chandra Shekar, S., Swathi, R.S.(2014). Stability of nucleobases and base pairs adsorbed on graphyne and graphdiyne . Journal of Physical Chemistry C. 118. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4516-4528.
Chandra Shekar, S., Swathi, R.S.(2014). Stability of nucleobases and base pairs adsorbed on graphyne and graphdiyne . Journal of Physical Chemistry C. 118. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4516-4528.
Chandra Shekar, S., Swathi, R. S.(2013). Rattling Motion of Alkali Metal Ions through the Cavities of Model Compounds of Graphyne and Graphdiyne . The Journal of Physical Chemistry A. 117. (36). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8632-8641.
Shekar, S. Chandra, Swathi, R. S. (2013). Rattling Motion of Alkali Metal Ions through the Cavities of Model Compounds of Graphyne and Graphdiyne . The Journal of Physical Chemistry A.
Chandra Shekar, S., Swathi, R.S.(2013). Rattling motion of alkali metal ions through the cavities of model compounds of graphyne and graphdiyne . Journal of Physical Chemistry A. 117. (36). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8632-8641.
Chandra Shekar, S., Swathi, R.S.(2013). Rattling motion of alkali metal ions through the cavities of model compounds of graphyne and graphdiyne . Journal of Physical Chemistry A. 117. (36). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8632-8641.
Chandra Shekar, S., Swathi, R.S.(2013). Rattling motion of alkali metal ions through the cavities of model compounds of graphyne and graphdiyne . Journal of Physical Chemistry A. 117. (36). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8632-8641.