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Anirban Mondal
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Universal strategy for Ohmic hole injection into organic semiconductors with high ionization energies
NB Kotadiya, H Lu, A Mondal, Y Ie, D Andrienko, PWM Blom, ...
Nature materials 17 (4), 329-334, 2018
2172018
A window to trap-free charge transport in organic semiconducting thin films
NB Kotadiya, A Mondal, PWM Blom, D Andrienko, GJAH Wetzelaer
Nature materials 18 (11), 1182-1186, 2019
1652019
Unicolored phosphor-sensitized fluorescence for efficient and stable blue OLEDs
P Heimel, A Mondal, F May, W Kowalsky, C Lennartz, D Andrienko, ...
Nature communications 9 (1), 4990, 2018
1432018
Quantitative prediction of physical properties of imidazolium based room temperature ionic liquids through determination of condensed phase site charges: A refined force field
A Mondal, S Balasubramanian
The Journal of Physical Chemistry B 118 (12), 3409-3422, 2014
1262014
Electron trapping in conjugated polymers
D Abbaszadeh, A Kunz, NB Kotadiya, A Mondal, D Andrienko, JJ Michels, ...
Chemistry of Materials 31 (17), 6380-6386, 2019
1032019
Understanding SO2 Capture by Ionic Liquids
A Mondal, S Balasubramanian
The Journal of Physical Chemistry B 120 (19), 4457-4466, 2016
592016
Dissolution of cellulose in room temperature ionic liquids: anion dependence
RS Payal, KK Bejagam, A Mondal, S Balasubramanian
The Journal of Physical Chemistry B 119 (4), 1654-1659, 2015
572015
Recent advances in modeling green solvents
S Das, A Mondal, S Balasubramanian
Current opinion in green and sustainable chemistry 5, 37-43, 2017
562017
A refined all-atom potential for imidazolium-based room temperature ionic liquids: acetate, dicyanamide, and thiocyanate anions
A Mondal, S Balasubramanian
The Journal of Physical Chemistry B 119 (34), 11041-11051, 2015
452015
Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity
AP Sunda, A Mondal, S Balasubramanian
Physical Chemistry Chemical Physics 17 (6), 4625-4633, 2015
432015
A molecular dynamics study of collective transport properties of imidazolium-based room-temperature ionic liquids
A Mondal, S Balasubramanian
Journal of Chemical & Engineering Data 59 (10), 3061-3068, 2014
402014
Rigorous characterization and predictive modeling of hole transport in amorphous organic semiconductors
NB Kotadiya, A Mondal, S Xiong, PWM Blom, D Andrienko, ...
Advanced Electronic Materials 4 (12), 1800366, 2018
392018
Molecular library of OLED host materials—Evaluating the multiscale simulation workflow
A Mondal, L Paterson, J Cho, KH Lin, B van der Zee, GJAH Wetzelaer, ...
Chemical Physics Reviews 2 (3), 2021
292021
Self‐Organization and Charge Transport Properties of Selenium and Tellurium Analogues of Polythiophene
S Ye, L Janasz, W Zajaczkowski, JG Manion, A Mondal, T Marszalek, ...
Macromolecular Rapid Communications 40 (1), 1800596, 2019
282019
Modeling chemical reactions in alkali carbonate–hydroxide electrolytes with deep learning potentials
A Mondal, D Kussainova, S Yue, AZ Panagiotopoulos
Journal of Chemical Theory and Computation 19 (14), 4584-4595, 2022
272022
Perspectives of Unicolored Phosphor‐Sensitized Fluorescence
L Paterson, A Mondal, P Heimel, R Lovrincic, F May, C Lennartz, ...
Advanced Electronic Materials 5 (12), 1900646, 2019
242019
Vibrational signatures of cation–anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study
A Mondal, S Balasubramanian
The Journal of Physical Chemistry B 119 (5), 1994-2002, 2015
242015
Genetic algorithm driven force field parameterization for molten alkali-metal carbonate and hydroxide salts
A Mondal, JM Young, TA Barckholtz, G Kiss, L Koziol, ...
Journal of Chemical Theory and Computation 16 (9), 5736-5746, 2020
202020
Charge environment and hydrogen bond dynamics in binary ionic liquid mixtures: A computational study
NVS Avula, A Mondal, S Balasubramanian
The Journal of Physical Chemistry Letters 9 (12), 3511-3516, 2018
162018
Molecular simulation of liquid–vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models
D Kussainova, A Mondal, JM Young, S Yue, AZ Panagiotopoulos
The Journal of Chemical Physics 153 (2), 2020
152020
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Articles 1–20