Seguir
Debdas Dhabal
Título
Citado por
Citado por
Ano
Water and other tetrahedral liquids: Order, anomalies and solvation
BS Jabes, D Nayar, D Dhabal, V Molinero, C Chakravarty
Journal of Physics: Condensed Matter 24 (28), 284116, 2012
592012
Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium
D Dhabal, C Chakravarty, V Molinero, HK Kashyap
The Journal of Chemical Physics 145 (21), 2016
492016
Triplet correlations dominate the transition from simple to tetrahedral liquids
M Singh, D Dhabal, AH Nguyen, V Molinero, C Chakravarty
Physical Review Letters 112 (14), 147801, 2014
492014
Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids
D Dhabal, AH Nguyen, M Singh, P Khatua, V Molinero, S Bandyopadhyay, ...
The Journal of chemical physics 143 (16), 2015
422015
Pressure-dependent morphology of trihexyl (tetradecyl) phosphonium ionic liquids: A molecular dynamics study
S Sharma, A Gupta, D Dhabal, HK Kashyap
The Journal of Chemical Physics 145 (13), 2016
382016
Triplet correlation functions in liquid water
D Dhabal, M Singh, KT Wikfeldt, C Chakravarty
The Journal of Chemical Physics 141 (17), 2014
292014
Structural correlations and cooperative dynamics in supercooled liquids
M Singh, M Agarwal, D Dhabal, C Chakravarty
The Journal of Chemical Physics 137 (2), 2012
252012
Probing the triplet correlation function in liquid water by experiments and molecular simulations
D Dhabal, KT Wikfeldt, LB Skinner, C Chakravarty, HK Kashyap
Physical Chemistry Chemical Physics 19 (4), 3265-3278, 2017
162017
Polymorph selection in zeolite synthesis occurs after nucleation
AA Bertolazzo, D Dhabal, V Molinero
The Journal of Physical Chemistry Letters 13 (4), 977-981, 2022
142022
Coarse-grained model for the hydrothermal synthesis of zeolites
D Dhabal, AA Bertolazzo, V Molinero
The Journal of Physical Chemistry C 125 (48), 26857-26868, 2021
142021
Molecular dynamics study of nanoscale organization and hydrogen bonding in binary mixtures of butylammonium nitrate ionic liquid and primary alcohols
G Shrivastav, A Gupta, A Rastogi, D Dhabal, HK Kashyap
The Journal of Chemical Physics 146 (6), 2017
142017
CEGANN: Crystal Edge Graph Attention Neural Network for multiscale classification of materials environment
S Banik, D Dhabal, H Chan, S Manna, M Cherukara, V Molinero, ...
npj Computational Materials 9 (1), 23, 2023
132023
Structural investigation of room-temperature ionic liquids and high-temperature ionic melts using triplet correlation functions
D Dhabal, A Gupta, HK Kashyap
The Journal of Chemical Physics 146 (9), 2017
122017
Stability and Metastability of Liquid water in a Machine-learned Coarse-grained Model with Short-range Interactions
D Dhabal, SKRS Sankaranarayanan, V Molinero
The Journal of Physical Chemistry B 126 (47), 9881-9892, 2022
112022
Characterizing the interplay between polymer solvation and conformation
D Dhabal, Z Jiang, A Pallath, AJ Patel
The Journal of Physical Chemistry B 125 (20), 5434-5442, 2021
112021
Unstable and metastable mesophases can assist in the nucleation of porous crystals
AA Bertolazzo, D Dhabal, LJS Lopes, SK Walker, V Molinero
The Journal of Physical Chemistry C 126 (7), 3776-3786, 2022
82022
Kinetics and Mechanisms of Pressure-Induced Ice Amorphization and Polyamorphic Transitions in a Machine-Learned Coarse-Grained Water Model
D Dhabal, V Molinero
J. Phys. Chem. B 127 (12), 2847-2862, 2023
72023
What Is the Smallest Zeolite That Could Be Synthesized?
D Dhabal, AA Bertolazzo, V Molinero
Angewandte Chemie International Edition 61 (29), e202205095, 2022
72022
Molecular simulation of osmometry in aqueous solutions of the BMIMCl ionic liquid: a potential route to force field parameterization of liquid mixtures
D Dhabal, T Patra
Physical Chemistry Chemical Physics 22 (48), 28325-28338, 2020
42020
Liquid-Liquid Transition in a Machine-Learned Coarse grained Water Model
D Dhabal, R Kumar, V Molinero
12023
O sistema não pode executar a operação agora. Tente novamente mais tarde.
Artigos 1–20