25 citations · 28 across the 4 of their papers we have counts for
4 papers
Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides
Lewis J. Conway, Chris J. Pickard
Crystal structures can be predicted from first-principles using ab initio random structure searching AIRSS and density functional theory (DFT). AIRSS provides a method to sample th…
High-throughput superconducting predictions through density of states rescaling
Kieran Bozier, Kang Wang, Bartomeu Monserrat +1
First principles computational methods can predict the superconducting critical temperature of conventional superconductors through the electron-phonon spectral fu…
Upper bounds on the highest phonon frequency and superconducting temperature from fundamental physical constants
K. Trachenko, B. Monserrat, M. Hutcheon +1
Fundamental physical constants govern key effects in high-energy particle physics and astrophysics, including the stability of particles, nuclear reactions, formation and evolution…
Thermodynamically stable room-temperature superconductors in Li-Na hydrides under high pressures
Decheng An, Defang Duan, Zihan Zhang +3
Room-temperature superconductivity has been a long-standing goal for scientific progress and human development. Thermodynamic stability is a prerequisite for material synthesis and…