Huan Tran

Huan Tran, PhD

Senior Research Scientist, Georgia Institute of Technology, Atlanta, USA
Director of Research Innovation, Matmerize, Inc., Atlanta, USA
huan dot tran at mse dot gatech dot edu

Interests

Recent projects

Recent activities

Some publications

Machine-learning approach for discovery of conventional superconductors, Phys. Rev. Materials 7, 054805 (2023) [pdf]
Toward recyclable polymers: ring-opening polymerization enthalpy from first principles, J. Phys. Chem. Lett. 13, 4778 (2022) [pdf]
Probabilistic deep learning approach for targeted hybrid organic-inorganic perovskites, Phys. Rev. Materials 5, 125402 (2021) [pdf]
Machine-learning predictions of polymer properties with Polymer Genome, J. Appl. Phys. 128, 171104 (2020) [pdf]
Polymer structure prediction from first principles, J. Phys. Chem. Lett. 11, 5823 (2020) [pdf]
Advanced polymeric dielectrics for high energy density applications, Prog. Mater. Sci. 83, 236-269 (2016) [pdf]
Pathways towards ferroelectricity in hafnia, Phys. Rev. B 90, 064111 (2014) [pdf]
Low-energy polymeric phases of alanates, Phys. Rev. Lett. 110, 135502 (2013) [pdf]
Valence bond entanglement and fluctuations in random singlet phases, Phys. Rev. B 84, 144420 (2011) [pdf]
Entanglement and bond fluctuations in random singlet phases, Dissertation, Florida State University (2010) [pdf]

Data & codes

Part of the data shared here (and will be regularly updated) generated with computational resources from the NSF XSEDE/ACCESS Allocation DMR170031.

binaries_2021 dataset of 61 atomic structures of BSb, 124 atomic structures of AlSb, 65 atomic structures of MgSi₂, and 39 atomic structures of Sn₃S, predicted by minima-hopping method & reported in AIP Advances 11, 045120 (2021).
hoip_2020 dataset of some hybrid organic-inorganic perovskites, reported as the Supporting Information of J. Chem. Phys. 152, 014104 (2020).
MgSi dataset of 358 low-energy atomic structures predicted for 13 Mg-Si binary compounds. Files are given in CIF format and named as struct-i-p.cif where i is the index of the structures at 0 GPa (1 for lowest energy, and higher i for higher energy), and p is the pressure in GPa. Originally published in Phys. Rev. Materials 2, 023803 (2018) & contributed to Materials Project (see here for more information).
SnS dataset of 369 low-energy atomic structures predicted for SnS₃, Sn₂S₅, SnS₂, Sn₂S₃, SnS, Sn₃S₂, Sn₂S, Sn₅S₂, and Sn₃S. Originally published in J. Phys. Chem. C 122, 17067 (2018).
hoip_dft dataset of 1,346 low-energy atomic structures predicted for 192 hybrid organic-inorganic perovskites ABX₃. Details & data reported in Sci. Data 4, 170057 (2017).
polymer_dft dataset of 1,073 polymer (crystal) atomic structures and various properties computed using DFT. Details & data reported in Sci. Data 3, 160012 (2016).