265 citations · 551 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 4 cited
Evaluation of crystal free energy with lattice dynamics
Tran Doan Huan
Within the framework of density functional theory (DFT), the total energy of crystal structures is calculated at zero temperature. Herein, we briefly discuss the DFT-based lattice-…
cond-mat.mtrl-sci2015★ 171 cited
Accelerated materials property predictions and design using motif-based fingerprints
Tran Doan Huan, Arun Mannodi-Kanakkithodi, Rampi Ramprasad
Data-driven approaches are particularly useful for computational materials discovery and design as they can be used for rapidly screening over a very large number of materials, thu…
cond-mat.mtrl-sci2015★ 16 cited
Exploring PtSO and PdSO phases: an evolutionary algorithm based investigation
Hom Sharma, Vinit Sharma, Tran Doan Huan
Metal sulfate formation is one of the major challenges to the emissions aftertreatment catalysts. Unlike the incredibly sulfation prone nature of Pd to form PdSO, no experiment…