17 citations · 28 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2023★ 11 cited
Beyond Independent Error Assumptions in Large GNN Atomistic Models
Janghoon Ock, Tian Tian, John Kitchin +1
The practical applications of determining the relative difference in adsorption energies are extensive, such as identifying optimal catalysts, calculating reaction energies, and de…
physics.chem-ph2018★ 17 cited
Next-Generation Quantum Theory of Atoms in Molecules for the Ground and Excited State of the Ring-Opening of Cyclohexadiene (CHD)
Tian Tian, Tianlv Xu, Steven R. Kirk +2
The factors underlying the experimentally observed branching ratio (70:30) of the (1,3-cyclohexadiene) CHDHT (1,3,5-hexatriene) photochemical ring-opening reaction are…