7 citations · 9 across the 5 of their papers we have counts for
5 papers
At-Scale Discovery of High-Voltage Cathode Active Materials for Na-Ion Batteries via Charged-Only Structures and Committee Divide-and-Conquer Learning
Suchona Akter, Mohammad R. Momeni, Md Omar Faruque
Current cathode-active materials (CAMs) designed for sodium-ion batteries (SIBs) suffer from low operating voltages, limited energy density, irreversible phase transitions, and low…
Elucidating Ion Capture and Transport Mechanisms of Preyssler Anions in Aqueous Solutions Using Biased MACE-Accelerated MD Simulations
Quadri O. Adewuyi, Suchona Akter, Md Omar Faruque +4
Equilibrium and biased MACE accelerated MD simulations in aqueous solutions are performed to investigate the ion capture and transport mechanisms of the {P5W30} Preyssler anion (PA…
Mechanism of Charge Transport in Mixed-Valence 2D Layered Hybrid Bronze Materials
Suchona Akter, Mohammad R. Momeni
Two-dimensional layered bronze (HB) materials are a new class of mixed-valence hybrid organic-inorganic metal oxides that demonstrate great potential as advanced functional materia…
Fine-tuning Microporosity of Crystalline Vanadomolybdate Frameworks for Selective Adsorptive Separation of Kr from Xe
Suchona Akter, Yong Li, Minbum Kim +4
Selective adsorptive capture and separation of chemically inert Kr and Xe noble gases with very low ppmv concentrations in air and industrial off-gases constitute an important tech…
High throughput screening, crystal structure prediction, and carrier mobility calculations of organic molecular semiconductors as hole transport layer materials in perovskite solar cells
Md Omar Faruque, Suchona Akter, Dil K. Limbu +3
Using a representative translational dimer model, high throughput calculations are implemented for fast screening of a total of 74 diacenaphtho-extended heterocycle (DAH) derivativ…