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Folder: papers
5 items under this folder.
Jun 20, 2025
Discovery of new high-pressure phases – integrating high-throughput DFT simulations, graph neural networks, and active learning
my-work
Mar 24, 2025
Thermodynamic fidelity of generative models for Ising system
my-work
Nov 13, 2024
How accurate is density functional theory at high pressures?
my-work
Nov 25, 2023
High-throughput density functional theory screening of double transition metal MXene precursors
my-work
Jan 26, 2023
Design of Atomic Ordering in Mo2Nb2C3Tx MXenes for Hydrogen Evolution Electrocatalysis
my-work