519 citations · 832 across the 11 of their papers we have counts for
6 papers · 1 filter
Polymer Informatics with Multi-Task Learning
Christopher Künneth, Arunkumar Chitteth Rajan, Huan Tran +3
Modern data-driven tools are transforming application-specific polymer development cycles. Surrogate models that can be trained to predict the properties of new polymers are becomi…
Machine Learning Models for the Lattice Thermal Conductivity Prediction of Inorganic Materials
Lihua Chen, Huan Tran, Rohit Batra +2
The lattice thermal conductivity () is a critical property of thermoelectrics, thermal barrier coating materials and semiconductors. While accurate empirical measuremen…
Unraveling the luminescence signatures of chemical defects in polyethylene
Lihua Chen, Tran Doan Huan, Chenchen Wang +1
Chemical defects in polyethylene (PE) can deleteriously downgrade its electrical properties and performance. Although these defects usually leave spectroscopic signatures in terms…
Pathways Towards Ferroelectricity in Hafnia
Tran Doan Huan, Vinit Sharma, George A. Rossetti +1
The question of whether one can systematically identify (previously unknown) ferroelectric phases of a given material is addressed, taking hafnia (HfO) as an example. Low free…
First-principles predicted low-energy structures of NaSc(BH4)4
Tran Doan Huan, Maximilian Amsler, Silvana Botti +2
According to previous interpretations of experimental data, sodium-scandium double-cation borohydride NaSc(BH) crystallizes in the crystallographic space group where…
Thermodynamic stability of alkali metal/zinc double-cation borohydrides at low temperatures
Tran Doan Huan, Maximilian Amsler, Riccardo Sabatini +5
We study the thermodynamic stability at low temperatures of a series of alkali metal/zinc double-cation borohydrides, including LiZn(BH), LiZn(BH), NaZn(BH)…