I'm Faizan Ullah

Phd Candidate (Chemistry)

  • Age 29
  • Address Computational Chemistry Lab, COMSATS University Islamabad, Abbottabad Campus
  • E-mail [email protected]
  • Publications 13
  • Citations 105
  • Cumulative Impact Factor 43

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Cheers! I’m Faizan Ullah. I am doing a Phd’s degree in Computational Chemistry.

Professional Skills

Quantum Espresso
Bash Scripting
Critical thinking

I am passionate about computational chemistry, my skills not limiting with above list.


2018 – continued

PhD Chemistry

Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan


MS/M-Phil Chemistry

Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan


BS Chemistry

Institute of Chemical Sciences, University of Peshawar, Pakistan

My Publications

Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A DFT studyApplied Surface Science2019North-Holland
Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical responseNew Journal of Chemistry2019Royal Society of Chemistry
Design of novel superalkali doped silicon carbide nanocages with giant nonlinear optical responseOptics & Laser Technology2020Elsevier
Design of Novel inorganic alkaline earth metal doped aluminum nitride complexes ([email protected] Al12N12) with high chemical stability, improved electronic properties and large nonlinear optical responseOptik2019Elsevier
Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle studyPhysica E: Low-dimensional Systems and Nanostructures2020North-Holland
Cyclic versus straight chain oligofuran as sensor: A detailed DFT studyJournal of Molecular Graphics and Modelling2020Elsevier
Remarkable second and third order nonlinear optical properties of organometallic C6Li6−M3O electridesNew Journal of Chemistry2020Royal Society of Chemistry
Superhalogen doping: A new and effective approach to design materials with excellent static and dynamic NLO responseNew Journal of Chemistry2020Royal Society of Chemistry
First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic Properties; A detailed quantum chemical studyOptics & Laser Technology2020Elsevier
Theoretical investigation of halides encapsulated [email protected] nanocages for potential applications as anodes for sodium ion batteriesMaterials Science in Semiconductor Processing2020Elsevier
Nonlinear optical response of first-row transition metal doped Al12P12 nanoclusters; a first-principles studyJournal of Physics and Chemistry of Solids2021Elsevier
Synthesis, Single Crystal X-Ray, Spectroscopic and Computational (DFT) Studies 2,1-benzothiazine based hydrazone derivativesJournal of Molecular Structure2021Elsevier
Remarkable static and dynamic NLO response of alkalis and superalkalis doped macrocyclic [hexa-]thiophene complexes; a DFT approachRSC Advances2021Royal Society of Chemistry

Favorite quotes

Mansur Al-Hallaj

“Between me and You, there is only me. Take away the me, so only You remain.” 


“Whenever you are alone, remind yourself that God has sent everyone else away so that there is only you and Him.”

Rabia Basri

“I love Allah: I have no time left in which to hate the devil.”


“Desires make slaves out of kings and patience makes kings out of slaves.”

Shah Naqshband

“The people of God do not admire what they are doing;
they act only out of the love of God.”

Sheikh Sa’di

“To give pleasure to a single heart by single kind act is better than a thousand head-bowings in prayer.”


“Behind every atom of this world, hides an infinite universe.”

Kahlil Gibran

“We are all like the bright moon, we still have our darker side.”

Amicus certus in re incerta cernitur