5 papers · 1 filter
Transformer Atomic Cluster Expansion: TRACE
Paramvir Ahlawat
Designing machine-learning interatomic potentials involves achieving the precise representation of complex many-body interactions alongside the efficiency required for scalable mol…
Thermal Conductivity Predictions with Foundation Atomistic Models
Balázs Póta, Paramvir Ahlawat, Gábor Csányi +1
Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across…
Lattice matched heterogeneous nucleation eliminate defective buried interface in halide perovskites
Paramvir Ahlawat, Cecilia Clementi, Felix Musil +1
Metal halide perovskite-based semi-conducting hetero-structures have emerged as promising electronics for solar cells, light-emitting diodes, detectors, and photo-catalysts. Perovs…
Size dependent solid-solid crystallization of halide perovskites
Paramvir Ahlawat
The efficiency and stability of halide perovskite-based solar cells and light-emitting diodes directly depend on the intricate dynamics of solid-solid crystallization[1-23]. In thi…
Molecular dynamics simulations of nucleation of hexagonal() and cubic()-FAPbI perovskites from solution
Paramvir Ahlawat
Solar to power conversion certified efficiencies of formamidinium lead iodide based single-junction perovskite solar cell is now 26%, all perovskite-perovskite tandem 28%, an…