activity
20172025
most citedEC-MOF/Phase-I: A computationally ready database of electrically conductive metal-organic frameworks with high-throughput structural and electronic properties

35 citations · 69 across the 13 of their papers we have counts for

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Showing 2023Show all

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physics.chem-ph2023★ 12 cited

Frustrated hops in Ring Polymer Surface Hopping: Real-time dynamics and detailed balance

Dil K. Limbu, Farnaz A. Shakib

Ring Polymer Surface-Hopping (RPSH) has been recently introduced as a well-tailored method for incorporating nuclear quantum effects (NQEs), such as zero-point energy and tunneling…