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20242026
most citedPromising High Temperature Thermoelectric Performance of Alkali Metal-based Zintl phases XAgY (X = Na, K; Y = Sb, Bi): Insights from First-Principles Studies

2 citations · 4 across the 4 of their papers we have counts for

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physics.chem-ph2025

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-…

cond-mat.mtrl-sci2025★ 2 cited

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…