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Anirban Mondal - Publications

Affiliations: 
2021- IIT Gandhinagar 
Area:
Computational materials chemistry
Website:
http://anirban.people.iitgn.ac.in/group.html
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27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Ingle J, Das B, Chaudhary K, Mondal A, Basu S. Small Molecule AIEgens for Illuminating Sub-Cellular Endoplasmic Reticulum, Mitochondria and Lysosomes. Chembiochem : a European Journal of Chemical Biology. e202300379. PMID 37357962 DOI: 10.1002/cbic.202300379  0.635
2023 Khatua R, Das B, Mondal A. Rational design of non-fullerene acceptors side-chain and terminal group engineering: a computational study. Physical Chemistry Chemical Physics : Pccp. 25: 7994-8004. PMID 36872908 DOI: 10.1039/d2cp05958d  0.642
2021 Mondal A, Paterson L, Cho J, Lin K, van der Zee B, Wetzelaer GAH, Stankevych A, Vakhnin A, Kim J, Kadashchuk A, Blom PWM, May F, Andrienko D. Molecular library of OLED host materials—Evaluating the multiscale simulation workflow Chemical Physics Reviews. 2: 031304. DOI: 10.1063/5.0049513  0.491
2020 Mondal A, Young JM, Barckholtz TA, Kiss G, Koziol L, Panagiotopoulos AZ. Genetic Algorithm Driven Force Field Parameterization for Molten Alkali-Metal Carbonate and Hydroxide Salts. Journal of Chemical Theory and Computation. PMID 32709204 DOI: 10.1021/Acs.Jctc.0C00285  0.322
2020 Kussainova D, Mondal A, Young JM, Yue S, Panagiotopoulos AZ. Molecular simulation of liquid-vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models. The Journal of Chemical Physics. 153: 024501. PMID 32668951 DOI: 10.1063/5.0012065  0.343
2019 Kotadiya NB, Mondal A, Blom PWM, Andrienko D, Wetzelaer GAH. A window to trap-free charge transport in organic semiconducting thin films. Nature Materials. PMID 31548633 DOI: 10.1038/S41563-019-0473-6  0.6
2019 Abbaszadeh D, Kunz A, Kotadiya NB, Mondal A, Andrienko D, Michels JJ, Wetzelaer GAH, Blom PWM. Electron Trapping in Conjugated Polymers Chemistry of Materials. 31: 6380-6386. DOI: 10.1021/Acs.Chemmater.9B01211  0.58
2019 Paterson L, Mondal A, Heimel P, Lovrincic R, May F, Lennartz C, Andrienko D. Perspectives of Unicolored Phosphor‐Sensitized Fluorescence Advanced Electronic Materials. 5: 1900646. DOI: 10.1002/Aelm.201900646  0.504
2018 Heimel P, Mondal A, May F, Kowalsky W, Lennartz C, Andrienko D, Lovrincic R. Unicolored phosphor-sensitized fluorescence for efficient and stable blue OLEDs. Nature Communications. 9: 4990. PMID 30478331 DOI: 10.1038/S41467-018-07432-2  0.547
2018 Ye S, Janasz L, Zajaczkowski W, Manion JG, Mondal A, Marszalek T, Andrienko D, Müllen K, Pisula W, Seferos DS. Self-Organization and Charge Transport Properties of Selenium and Tellurium Analogues of Polythiophene. Macromolecular Rapid Communications. e1800596. PMID 30417480 DOI: 10.1002/Marc.201800596  0.582
2018 Mondal A, Sunda AP. Molecular dynamics simulations of ammonium/phosphonium-based protic ionic liquids: influence of alkyl to aryl group. Physical Chemistry Chemical Physics : Pccp. PMID 29989116 DOI: 10.1039/C8Cp03004A  0.417
2018 Avula NVS, Mondal A, Balasubramanian S. Charge Environment and Hydrogen Bond Dynamics in Binary Ionic Liquid Mixtures: A Computational Study. The Journal of Physical Chemistry Letters. PMID 29883123 DOI: 10.1021/Acs.Jpclett.8B01481  0.646
2018 Kotadiya NB, Lu H, Mondal A, Ie Y, Andrienko D, Blom PWM, Wetzelaer GAH. Publisher Correction: Universal strategy for Ohmic hole injection into organic semiconductors with high ionization energies. Nature Materials. PMID 29511322 DOI: 10.1038/S41563-018-0043-3  0.529
2018 Kotadiya NB, Lu H, Mondal A, Ie Y, Andrienko D, Blom PMW, Wetzelaer GHA. Universal strategy for Ohmic hole injection into organic semiconductors with high ionization energies. Nature Materials. PMID 29459747 DOI: 10.1038/S41563-018-0022-8  0.58
2018 Kotadiya NB, Mondal A, Xiong S, Blom PWM, Andrienko D, Wetzelaer GAH. Rigorous Characterization and Predictive Modeling of Hole Transport in Amorphous Organic Semiconductors Advanced Electronic Materials. 4: 1800366. DOI: 10.1002/Aelm.201800366  0.538
2017 Das S, Mondal A, Balasubramanian S. Recent advances in modeling green solvents Green and Sustainable Chemistry. 5: 37-43. DOI: 10.1016/J.Cogsc.2017.03.006  0.327
2017 Mondal A, Balasubramanian S. Molecular Dynamics Investigation of Efficient SO 2 Absorption by Anion-Functionalized Ionic Liquids Journal of Chemical Sciences. 129: 859-872. DOI: 10.1007/S12039-017-1236-Z  0.407
2016 Mondal A, Balasubramanian S. Understanding SO2 Capture by Ionic Liquids. The Journal of Physical Chemistry. B. PMID 27119562 DOI: 10.1021/Acs.Jpcb.6B02553  0.642
2016 Mondal A, Balasubramanian S. Proton Hopping Mechanisms in a Protic Organic Ionic Plastic Crystal Journal of Physical Chemistry C. 120: 22903-22909. DOI: 10.1021/Acs.Jpcc.6B08274  0.358
2015 Mondal A, Sunda AP, Balasubramanian S. Thermal phase behavior and ion hopping in a 1,2,4-triazolium perfluorobutanesulfonate protic organic ionic plastic crystal. Physical Chemistry Chemical Physics : Pccp. PMID 26687014 DOI: 10.1039/C5Cp05701A  0.634
2015 Mondal A, Balasubramanian S. A Refined All-Atom Potential for Imidazolium-Based Room Temperature Ionic Liquids: Acetate, Dicyanamide, and Thiocyanate Anions. The Journal of Physical Chemistry. B. PMID 25905727 DOI: 10.1021/Acs.Jpcb.5B02272  0.642
2015 Mondal A, Balasubramanian S. Vibrational signatures of cation-anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study. The Journal of Physical Chemistry. B. 119: 1994-2002. PMID 25587624 DOI: 10.1021/Jp5113679  0.619
2015 Sunda AP, Mondal A, Balasubramanian S. Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity. Physical Chemistry Chemical Physics : Pccp. 17: 4625-33. PMID 25585541 DOI: 10.1039/C4Cp05353B  0.607
2015 Payal RS, Bejagam KK, Mondal A, Balasubramanian S. Dissolution of cellulose in room temperature ionic liquids: anion dependence. The Journal of Physical Chemistry. B. 119: 1654-9. PMID 25535797 DOI: 10.1021/Jp512240T  0.632
2014 Mondal A, Balasubramanian S. Quantitative prediction of physical properties of imidazolium based room temperature ionic liquids through determination of condensed phase site charges: a refined force field. The Journal of Physical Chemistry. B. 118: 3409-22. PMID 24605817 DOI: 10.1021/Jp500296X  0.642
2014 Mondal A, Balasubramanian S. Intermolecular Structure in Tri-n-Butyl Phosphate/n-Octane Mixtures: a Molecular Dynamics Simulation Study Current Science. 106: 1235-1242. DOI: 10.18520/Cs/V106/I9/1235-1242  0.306
2014 Mondal A, Balasubramanian S. A molecular dynamics study of collective transport properties of imidazolium-based room-temperature ionic liquids Journal of Chemical and Engineering Data. 59: 3061-3068. DOI: 10.1021/Je500132U  0.395
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