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1 Oct 2020
SERC
Institute of High Performance Computing
Efficacious symmetry-adapted atomic displacement method for lattice dynamical studies
Chee Kwan Gan,
Yun Liu,
Tze Chien Sum,
Kedar Hippalgaonkar
Computer Physics Communications
7 May 2020
SERC
Institute of High Performance Computing
EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations
Tianqi Deng,
Gang Wu,
Michael B. Sullivan,
Zicong Marvin Wong,
Kedar Hippalgaonkar,
Jian-Sheng Wang,
Shuo-Wang Yang
npj Computational Materials
8 Apr 2020
SERC
Institute of High Performance Computing
Correlating charge and thermoelectric transport to paracrystallinity in conducting polymers
Anas Abutaha,
Pawan Kumar,
Erol Yildirim,
Wen Shi,
Shuo-Wang Yang,
Gang Wu,
Kedar Hippalgaonkar
Nature Communications
29 Jan 2020
SERC
Institute of Materials Research and Engineering
Origin of High Thermoelectric Performance in Earth-Abundant Phosphide−Tetrahedrite
Ady Suwardi,
Lei Hu,
Xizu Wang,
Xian Yi Tan,
Durga Venkata Maheswar Repaka,
Lai-Mun Wong,
Xiping Ni,
Weng Heng Liew,
Su Hui Lim,
Qingyu Yan,
Jianwei Xu,
Yun Zheng,
Kedar Hippalgaonkar
ACS Applied Materials & Interfaces
26 Jul 2019
SERC
Institute of High Performance Computing
Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors
Wen Shi,
Tianqi Deng,
Gang Wu,
Kedar Hippalgaonkar,
Jian-Sheng Wang,
Shuo-Wang Yang
Advanced Materials
26 Jul 2019
SERC
Institute of Materials Research and Engineering
Inertial Effective Mass as an Effective Descriptor for Thermoelectrics via Data-driven Evaluation
Ady Suwardi,
Daniil Bash,
Hong Kuan Ng,
Jose Recatala Gomez,
Durga Venkata Repaka,
Pawan Kumar,
Kedar Hippalgaonkar
Journal of Materials Chemistry A
1 Mar 2019
SERC
Institute of High Performance Computing
2D Single‐Layer π‐Conjugated Nickel Bis(dithiolene) Complex: A Good‐Electron‐Poor‐Phonon Thermoelectric Material
Tianqi Deng,
Xue Yong,
Wen Shi,
Chee Kwan Gan,
Kedar Hippalgaonkar,
Jin-Cheng Zheng,
Xiaobai Wang,
Shuo-Wang Yang,
Jian-Sheng Wang,
Gang Wu
Advanced Electronic Materials
17 Dec 2018
SERC
Institute of High Performance Computing
Polymer morphology and interfacial charge transfer dominate over energy-dependent scattering in organic-inorganic thermoelectrics
Pawan Kumar,
Edmond W. Zaia,
Erol Yildirim,
D. V. Maheswar Repaka,
Shuo-Wang Yang,
Jeffrey J. Urban,
Kedar Hippalgaonkar
Nature Communications
2 Oct 2018
SERC
Institute of High Performance Computing
Poly(nickel-ethylenetetrathiolate) and Its Analogs: Theoretical Prediction of High-Performance Doping-Free Thermoelectric Polymers
Wen Shi,
Gang Wu,
Kedar Hippalgaonkar,
Jian-Sheng Wang,
Jianwei Xu,
Shuo-Wang Yang
Journal of the American Chemical Society
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