Publications
2021
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Pushing the limits of solubility prediction via quality-oriented data selection ,
iSci. 24 (2021) 101961 ,
OA ,
DOI
2020
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An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery ,
NPJ Comput. Mater. 6 (2020) 106 ,
OA ,
DOI
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Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on Ag electrodes ,
J. Energy Chem. 50 (2020) 307-313 ,
OA ,
DOI
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Time series forecasting on multi-variate solar radiation data using deep learning (LSTM) ,
Turk. J. Elec. Eng. & Comp. Sci. 28 (2020) 211-223 ,
OA ,
DOI
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A comparative experimental and density functional study of glucose adsorption and electrooxidation on the Au-graphene and Pt-graphene electrodes ,
Int. J. Hydrogen Energy 45 (2020) 490-500 ,
DOI
2019
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AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds ,
Nat. Sci. Data 6 (2019) 143 ,
OA ,
DOI
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Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study ,
Int. J. Hydrogen Energy 44 (2019) 16803-16810 ,
OA ,
2019_69491.pdf ,
DOI
2019_69491.pdf ,
DOI 2018
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Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study ,
Int. J. Hydrogen Energy 43 (2018) 21441-21450 ,
OA ,
2018_68693.pdf ,
DOI
2018_68693.pdf ,
DOI
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Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D-2 on Cu(211) ,
J. Phys. Chem. Lett. 9 (2018) 170-175 ,
OA ,
DOI
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Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV–Vis and mass spectrometry and DFT ,
J. Catal. 357 (2018) 176-187 ,
OA ,
DOI
