223 citations · 600 across the 11 of their papers we have counts for
11 papers
Quantum Anharmonic Effects on the Superconductivity of I-43m CH4-H3S at High Pressures: a First-Principles Study
Pugeng Hou, Francesco Belli, Tiange Bi +2
Making use of first-principles calculations we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of I-43m CH…
Structural Diversity and Superconductivity in S-P-H Ternary Hydrides Under Pressure
Nisha Geng, Tiange Bi, Eva Zurek
Evolutionary structure searches revealed a plethora of stable and low-enthalpy metastable phases in the S-P-H ternary phase diagram under pressure. A wide variety of crystalline st…
Materials under high pressure: A chemical perspective
Katerina P. Hilleke, Tiange Bi, Eva Zurek
At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - i…
A Little Bit of Carbon Can do a Lot for Superconductivity in HS
Xiaoyu Wang, Tiange Bi, Katerina P. Hilleke +3
First-principles calculations were carried out to provide a chemical basis for proposed structures associated with the recently reported room-temperature superconductivity in a car…
Towards high-throughput superconductor discovery via machine learning
Stephen R. Xie, Y. Quan, Ajinkya Hire +5
Even though superconductivity has been studied intensively for more than a century, the vast majority of superconductivity research today is carried out in nearly the same manner a…
The Li-F-H Ternary System at High Pressures
Tiange Bi, Andrew Shamp, Tyson Terpstra +2
Evolutionary crystal structure prediction searches have been employed to explore the ternary Li-F-H system at 300 GPa. Metastable phases were uncovered within the static lattice ap…
A Metastable CaSH Phase Composed of HS Honeycomb Sheets that is Superconducting Under Pressure
Yan Yan, Tiange Bi, Nisha Geng +2
Evolutionary searches predicted a number of ternary phases that could be synthesized at pressures of 100-300~GPa. CaSH, CaSH, CaSH, and $I\ba…
High-Temperature Superconductivity in Alkaline and Rare Earth Polyhydrides at High Pressure: A Theoretical Perspective
Eva Zurek, Tiange Bi
The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles cal…
Crystal Structures and Properties of Iron Hydrides at High Pressure
Niloofar Zarifi, Tiange Bi, Hanyu Liu +1
Evolutionary algorithms and the particle swarm optimization method have been used to predict stable and metastable high hydrides of iron between 150-300 GPa that have not been disc…
The Search for Superconductivity in High Pressure Hydrides
Tiange Bi, Niloofar Zarifi, Tyson Terpstra +1
The computational and experimental exploration of the phase diagrams of binary hydrides under high pressure has uncovered phases with novel stoichiometries and structures, some whi…
Decomposition Products of Phosphine Under Pressure: PH2 Stable and Superconducting?
Andrew Shamp, Tyson Terpstra, Tiange Bi +3
Evolutionary algorithms (EA) coupled with Density Functional Theory (DFT) calculations have been used to predict the most stable hydrides of phosphorous (PHn, n = 1-6) at 100, 150…