265 citations · 551 across the 10 of their papers we have counts for
10 papers
Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders
Rohit Batra, Hanjun Dai, Tran Doan Huan +5
The design/discovery of new materials is highly non-trivial owing to the near-infinite possibilities of material candidates, and multiple required property/performance objectives.…
Polymer Informatics: Current Status and Critical Next Steps
Lihua Chen, Ghanshyam Pilania, Rohit Batra +4
Artificial intelligence (AI) based approaches are beginning to impact several domains of human life, science and technology. Polymer informatics is one such domain where AI and mac…
Pressure-stabilized binary compounds of magnesium and silicon
Tran Doan Huan
The family of binary compounds composed of magnesium and silicon is rather rich. In addition to the well-known magnesium silicide MgSi, other compounds, including MgSi, Mg$…
Dopants Promoting Ferroelectricity in Hafnia: Insights From A Comprehensive Chemical Space Exploration
Rohit Batra, Tran Doan Huan, George A. Rossetti +1
Although dopants have been extensively employed to promote ferroelectricity in hafnia films, their role in stabilizing the responsible ferroelectric non-equilibrium Pca21 phase is…
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-…
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…