2 citations · 4 across the 4 of their papers we have counts for
4 papers
Atomistic study of finite temperature properties in ferroelectric BiAlO
Indranil Mal, Chandan Kumar Vishwakarma, Mohd Zeeshan +2
The lead-free perovskite ferroelectrics captivate researchers with their unique functional properties leading to important technological applications. In the search for a new lead-…
GridFF: Efficient Simulation of Organic Molecules on Rigid Substrates
Indranil Mal, Milan Kočí, Paolo Nicolini +1
We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-…
Promising High Temperature Thermoelectric Performance of Alkali Metal-based Zintl phases XAgY (X = Na, K; Y = Sb, Bi): Insights from First-Principles Studies
Mohd Zeeshan, Indranil Mal, B K Mani
In the quest for novel thermoelectric materials to harvest waste environmental heat, we investigate alkali metal-based Zintl phases XAgY (X = Na, K, and Y = Sb, Bi) utilizing f…
Emergence of half-metallic ferromagnetism and valley polarization in transition metal substituted WSTe monolayer
Shivani Kumawat, Chandan Kumar Vishwakarma, Mohd Zeeshan +3
Two-dimensional (2D) Janus materials hold a great importance in spintronic and valleytronic applications due to their unique lattice structures and emergent properties. They intrin…