Anik Sen

Anik Sen

Assistant Professor, Chemistry, GSS , VSP

Email ID
Research Areas
  • Molecular Modelling on Solvation
  • Molecular Modelling on Dye Sensitized Solar Cell
  • Molecular Modelling on DNA & ligand interaction for drug design
  • Molecular Modelling on organic reaction mechanisms


Degree NameInstitute & College nameYear of Graduation/Award
MScUniversity of Delhi2008
BScRamakrishna Mission Residential College, Narendrapur2006


DesignationOrganizationFrom DateTo Date
UGC NET SRFCSIR-CSMCRI14-08-201025-11-2013
UGC NET JRFCSIR-CSMCRI14-08-200813-08-2010


Award nameAward OrganizationAwarded year
Best Faculty AwardVenus International Foundation2021
Certificate for ReviewingElsevier2021
Editorial Board for Special IssueFrontiers2021
Best Young Scientist Award, Below 40 yearsGISR Foundation2020

Effect of Electron WithdrawingDonating Groups on the Sensitizing Action of the Novel Organic Dye 3(5(4(diphenylamino)styryl)thiophen2yl)2cyanoacrylic acid for Ntype Dye Sensitized Solar Cells A Theoretical Study. J. Phys. Chem. C, Scopus, APR-Select, Accepted, 00

Chemistry of Biologically active Oxadiazole analogues Current Status and Future Applications,Russian Journal of Bioorganic chemistry, Scopus, -2021, XX, 00

Triazole based isatin derivatives may inhibit kinases that are crucial for cancer growth Insight from Electronic Structure, Docking and MD SimulationsJ. Mol. Graph. Model, Scopus, APR-2021, XX, 00

The role of anchoring groups in ruthenium(II)bipyridine sensitized ptype semiconductor solar cells a quantum chemical approachJournal of Physics B Atomic, Molecular and Optical Physics, Web of science, AUG-2020, Accepted, 00

Determination of potential inhibitors based on isatin derivatives against SARSCoV2 main protease (mpro) a molecular docking, molecular dynamics and structureactivity relationship studiesJournal of Biomolecular Structure and Dynamics, Web of science, OCT-2020, Xx, 00

The role of anchoring groups in ruthenium(II)bipyridine sensitized ptype semiconductor solar cellsa quantum chemical approachJournal of Physics B Atomic, Molecular and optical physics , Web of science, NOV-2020, 53, 234001

Screening donor and acceptor groups for organic azobased dyes for dye sensitized solar cellsJ. Mol. Structure , Web of science, OCT-2020, 1228, 129776

In silico studies to understand the adsorbent properties of CuO nanoclusters for toxic water soluble dyesJournal of the Indian Chemical Society, Scopus, SEP-2020, 97, 1531-1538

Can Stereoelectronically Rich Heterocyclic Systems Used as Peroxosolvates?Int. J. Innov. Sci. Res. Tech. , Google scholar, -2019, 4, 642-654

Does involving additional linker always increase the efficiency of an organic dye for ptype dye sensitized solar cells?ACS Applied Energy Materials, Scopus, -2019, 2, 6341-6347

Promising sensitizers for Dye Sensitized Solar Cells A comparison of Ru(II) with other earths scarce and abundant metal polypyridine complexesInt. J. Quant. Chem. , Scopus, -2019, 119, 25963

Enantioselectivity of [4 2] cycloaddition between cyclopentadiene and azachalcone with DNA based hybrid catalyst in aqueous medium A computational studyJ. Indian Chem. Soc., Scopus, -2018, 95, 1551-1558

ElectrodeElectrolyte Interface in the LiO2 Battery Insight from Molecular Dynamics Study.J. Phys. Chem. C, Scopus, -2017, 121, 14463-14469

Exploiting hydrogen bonding interactions to probe smaller linear and cyclic diamines binding with Gquadruplexes A DFT and Molecular Dynamics Study.Phys. Chem. Chem. Phys., Scopus, -2017, 19, 11474-11484

Exploiting hydrogen bonding interactions to probe smaller linear and cyclic diamines binding with G-quadruplexes: A DFT and Molecular Dynamics Study. Mrinal K. Si, Anik Sen, Bishwajit Ganguly, Phys. Chem. Chem. Phys. 2017, 19, 11474-11484, ISSN. No. 1463-9084.Phys. Chem. Chem. Phys., , APR-2017, ,

H bond and electric field correlations for water in highly hydrated crystalsInt. J. Quant. Chem. , Scopus, -2016, 116, 67-80

Revealing the parameters to design the habit modifiers for rocksalt crystals empirical to rational approachCan. J. Chem., Scopus, -2015, 93, 1219-1225

Design of Efficient MetalFree Organic Dyes Having an Azacyclazine Scaffold as the Donor Fragment for Dye Sensitized Solar CellsJ. Phys. Chem. C, Scopus, -2014, 118, 20763-20771

Probing the role of solvation in predicting the pi Facial Selectivity of 5 Fluoro 2 methylene adamantane with peracid A Case Study. Computational and Theoretical Chemistry , Scopus, -2013, 1026, 46-54

In Silico Studies towards Understanding the Interactions of the DNA basepairs with protonated LinearCyclic DiaminesJ. Phys. Chem. B, Scopus, -2013, 117, 9840-9850

A computational study toward understanding the separation of ions of potassium chloride microcrystal in waterTheoretical Chemistry Accounts, Scopus, -2012, 131, 1-13

Is Dual Morphology of RockSalt Crystals Possible with a Single Additive? The Answer Is Yes, with Barbituric AcidAngew. Chem. Int. Ed. , Scopus, -2012, 51, 11279-11283

Microwave assisted isomerization of alkenyl aromatics over solid base catalysts an understanding through theoretical studyRSC Advances, Scopus, -2012, 2, 6871-6878

Does Bridging Geometry Influence Interfacial Electron Transfer Dynamics? Case of Enediol TiO2 System. J. Phys. Chem. C, Scopus, -2012, 116, 98-103

Photosensitization of nanoparticulate TiO2 using a Re(I)polypyridyl complex studies on interfacial electron transfer in the ultrafast time domainPhys. Chem. Chem. Phys., Scopus, -2012, 14, 8192-8198

A computational approach towards predicting pi facial selectivity in sterically unbiased olefins an evaluation of the relative importance of electrostatic and orbital effectsTetrahedron, Scopus, -2011, 67, 3754-3762

First principle study towards the influence of Cd2 on the morphology of sodium chloride. J. Mol. Graph. Model., Scopus, -2010, 28, 413-419

Probing the influence of solvent effects on the conformational behavior of 1,4diazacyclohexane systemsJ. Mol. Struct. , Scopus, -2010, 984, 294-299

Electrostatic origin towards the reversal of facial selectivity of 5,6cis,exodisubstituted bicyclic[2.2.2]oct2enes with mchloroperbenzoic acid and diazomethane a computational studyTetrahedron Letters, Scopus, -2010, 51, 143-146

Effect of steric crowding on ion selectivity for calixcrown hybrid ionophores experimental, molecular modeling and crystallographic studiesNew Journal of Chemistry, Scopus, -2010, 34, 2796-2805

What is the Minimum Number of Water Molecules Required to Dissolve a Potassium Chloride Molecule? J. Comput. Chem. , Scopus, -2010, 31, 2948-2954

Sensitization of Nanocrystalline TiO2 anchored with pendant catechol functionality using a new tetracyanato ruthenium(II) polypyridyl complex. Inorg. Chem., Scopus, -2010, 49, 4167-4174

Probing the influence of pH dependent citric acid towards the morphology of rock salt a computational study.CrystEngComm, Scopus, -2009, 11, 2660-2667

Title of the projectFunded byDurationSanctioned date
In silico studies for preventing cancer and related deseases by inhibiting the workefficiency of ODC enzyme and natural polyamines.UGC2428-Feb-2021
Title of the projectFunded byDurationSanctioned date
Title of the bookBook / ChapterName of the publisherSubject areaEditionPage numbersISBNPublished year
Management of Contaminants of Emerging Concern (CEC) in Environment.ChaptersElsevierChemistry and Pharmacy1127-16197801282226382021
Development of Solar CellsChaptersSpringerChemistry, Solar cells1127-16597830306944492021
Board nameJournal name
Board nameJournal name
Oriental J. Chem.Oriental J. Chem.
World ScientificJ. Theor. Com. Chem.
PeertechzOpen J. Chem.
ElsevierJ. Mol. Struct.
Bentham ScienceMedicinal Chemistry
Taylor and FrancisJournal of Biomolecular Structure Dynamics
WileyChemistry Select
Seminar nameOrganized byVenueStart dateEnd dateTitle of the paper presentedRoleCo presenter
Seminar nameOrganized byVenueStart dateEnd dateTitle of the paper presentedRoleCo presenter
InternationalDPG GermanyBerlin, Germany11-Mar-201816-Mar-2018The Role of Anchoring Groups in Ruthenium (II) Bipyridine Sensitized pType Semiconductor Solar Cells A Quantum Chemical Approach.ParticipatedNA
InternationalULM University & FSU JenaULM, Germany08-Oct-201710-Oct-2017Effect of Anchoring groups on metal complexes for DSSC studies A Theoretical Study.ParticipatedNA
InternationalDPG GermanyDresden, Germany19-Mar-201724-Mar-2017The effect of Anchoring groups on immobilised Ruthenium (II) bipyridine complexes for dye sensitised solar cells A theoretical studyParticipatedNA
InternationalGDCH, GermanyJena, Germany26-Sep-201628-Sep-2016The effect of Anchoring groups on immobilised Ruthenium (II) bipyridine complexes for dye sensitised solar cells A theoretical study.ParticipatedNA
InternationalUPPSALA UNIVERSITYUppsala, Sweden27-Oct-201429-Oct-2015Computational Crystallography of waterParticipatedNA
InternationaleSSENCE AcademyUMEA, Sweden15-Oct-201416-Oct-2014Computational Crystallography of waterParticipatedNA
InternationaleSSENCE AcademyUppsala, Sweden02-Jun-201404-Jun-2014A Computational Approach to Understand the Dissolution of Potassium Chloride Single Molecule to MicrocrystalParticipatedNA
InternationalP.V. Bharatam, NIPERNIPER & NISER, Mohali26-Feb-201301-Mar-2013A computational approach towards predicting facial selectivity of sterically Unbiased olefins and role of solvation on the stereoselectivity.ParticipatedNA
InternationalUniversity of HyderabadHyderabad Central University10-Dec-201113-Dec-2011A Computational Approach to Study the Dissolution of Potassium Chloride Single Molecule to Microcrystal.ParticipatedNA
InternationalCRSI & RSCNCL, Pune05-Feb-200908-Feb-2009Participated
Name of the awardAwarded byAwarded year
Best Faculty AwardVenus International Foundation2021
Best Young Scientist AwardGISR FOUNDATIONS2020
National Scholarship for Xth classWest Bengal Govt. Education Board2003
Merit Certificate for Highest Marksin School in XIIthWest Bengal Govt. Teachers Association2003
Organization nameMembership categoryMembership type
Indian Science Congress AssociationIndividualMember