Research Projects about COMPUTATIONAL

Using Text-mined Scientific Data And AI For Materials Design

Using Text-mined Scientific Data and AI for Materials Design

Ongoing PhD Project

Journal Name: N/A

#text-mining #scientific-data #ai #materials-design #computational #ongoing

Oct, 2023 - Present

Doping Induced Charge Transfer In Functional Graphene

Doping Induced Charge Transfer in Functional Graphene

Writing Draft

Journal Name: N/A

#doping #2d #charge-transfer #graphene #dft #computational #experimental #ongoing #writing

Jul, 2023 - Present

A Copper Complex Receptor For Nanomolar Sulfide Sensing And Applications In DNA/BSA Binding

A copper complex receptor for nanomolar sulfide sensing and applications in DNA/BSA binding

Published Journal Article

Journal Of Photochemistry And Photobiology A: Chemistry

#sulfide #sensing #binding-modes #computational #experimental #completed #published #2024

Invalid Date

A Discrete Trialane With A Near-Linear Al₃ Axis

A Discrete Trialane with a Near-Linear Al₃ Axis

Published Journal Article

Journal Of The American Chemical Society

#trialane #organometallic #main-group #experimental #computational #completed #published #2024

Invalid Date

DFT Study For H₂ Adsorption In A Cage Like Metal Oxide Cluster

DFT study for H₂ adsorption in a cage like metal oxide cluster

Writing Draft

Journal Name: N/A

#adsorption #h2-storage #metal-oxide #dft #computational #ongoing #writing

Aug, 2022 - Present

Tuning The Optoelectronic Properties By End-capped Group Modification For Efficient OSCs

Tuning the optoelectronic properties by end-capped group modification for efficient OSCs

Preprint

Research Square For Preprint

#osc #optoelectronic #solar #dft #computational #completed #preprint #2023

Invalid Date

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