Kevin K. Ly
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Research Subjects
Kevin K. Ly has a total of 3 co-authors. Here are the top co-authors by number of shared publications:
- David M. Ceperley
University of Illinois
3 shared publications John W. Lawson
Ames Research Center
1 shared publication- Zhigang Wu
Ames Research Center
1 shared publication
Latest Publications
- 11 May 2026
- Published by American Physical Society (APS) in Physical Review B
- Vol. 113 (18)
Diffusion quantum Monte Carlo calculation of the austenite and martensite phases of NiTi
- 11 May 2026
- Published by American Physical Society (APS) in Physical Review B
- Vol. 113 (18)
Diffusion quantum Monte Carlo calculation of the austenite and martensite phases of NiTi
- 6 March 2025
- Published by American Physical Society (APS) in Physical Review B
- Vol. 111 (10)
Melting curves of atomic hydrogen and deuterium calculated using path-integral Monte Carlo
- 6 March 2025
- Published by American Physical Society (APS) in Physical Review B
- Vol. 111 (10)
Melting curves of atomic hydrogen and deuterium calculated using path-integral Monte Carlo
- 17 August 2022
- Published by American Physical Society (APS) in Physical Review B
- Vol. 106 (5) , 054106
Stability and distortion of fcc with path-integral molecular dynamicsThe synthesis of the high-temperature superconductor requires pressures in excess of 100 GPa, wherein it adopts a face-centered cubic structure. Upon decompression, this structure undergoes a distortion, which still supports superconductivity, but with a lower critical temperature. Previous calculations have shown that quantum and anharmonic effects are necessary to stabilize the cubic structure, but have not resolved the low pressure distortion. Using large scale path-integral molecular dynamics enabled by a machine learned potential, we show that a rhombohedral distortion appears at sufficiently low pressures. We also highlight the importance of quantum zero-point motion in stabilizing the cubic structure.- 17 August 2022
- Published by American Physical Society (APS) in Physical Review B
- Vol. 106 (5) , 054106
Stability and distortion of fcc with path-integral molecular dynamicsThe synthesis of the high-temperature superconductor requires pressures in excess of 100 GPa, wherein it adopts a face-centered cubic structure. Upon decompression, this structure undergoes a distortion, which still supports superconductivity, but with a lower critical temperature. Previous calculations have shown that quantum and anharmonic effects are necessary to stabilize the cubic structure, but have not resolved the low pressure distortion. Using large scale path-integral molecular dynamics enabled by a machine learned potential, we show that a rhombohedral distortion appears at sufficiently low pressures. We also highlight the importance of quantum zero-point motion in stabilizing the cubic structure.- 24 January 2022
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 156 (4) , 044108
Phonons of metallic hydrogen with quantum Monte Carlo
We describe a simple scheme to perform phonon calculations with quantum Monte Carlo (QMC) methods and demonstrate it on metallic hydrogen. Because of the energy and length scales of metallic hydrogen and the statistical noise inherent to QMC methods, the conventional manner of calculating force constants is prohibitively expensive. We show that our alternate approach is nearly 100 times more efficient in resolving the force constants needed to calculate the phonon spectrum in the harmonic approximation. This requires only the calculation of atomic forces, as in the conventional approach, and otherwise little or no programmatic modification.
- 24 January 2022
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 156 (4) , 044108
Phonons of metallic hydrogen with quantum Monte Carlo
We describe a simple scheme to perform phonon calculations with quantum Monte Carlo (QMC) methods and demonstrate it on metallic hydrogen. Because of the energy and length scales of metallic hydrogen and the statistical noise inherent to QMC methods, the conventional manner of calculating force constants is prohibitively expensive. We show that our alternate approach is nearly 100 times more efficient in resolving the force constants needed to calculate the phonon spectrum in the harmonic approximation. This requires only the calculation of atomic forces, as in the conventional approach, and otherwise little or no programmatic modification.