6 papers
exa-PD: A scalable high-performance workflow for multi-element phase diagram construction
Zhuo Ye, Feng Zhang, Maxim Moraru +4
Exa-PD is a highly parallelizable workflow designed for the construction of multi-element phase diagrams (PDs). It uses standard sampling techniques, molecular dynamics (MD) and Mo…
Sampling Noise and Optimized Measurement Distribution in Imaginary-Time Quantum Dynamics Simulations
Feng Zhang, Niladri Gomes, Joshua Aftergood +3
Variational quantum dynamics simulations (VQDS) provide a promising route to simulate real- and imaginary-time quantum dynamics on noisy intermediate-scale quantum devices using fi…
exaPD: A highly parallelizable workflow for multi-element phase diagram (PD) construction
Feng Zhang, Zhuo Ye, Maxim Moraru +4
Phase diagrams (PDs) illustrate the relative stability of competing phases under varying conditions, serving as critical tools for synthesizing complex materials. Reliable phase di…
Ab initio calculation of atomic solid hydrogen phases based on Gutzwiller many-body wave functions
Zhuo Ye, Jun Liu, Yong-Xin Yao +3
We apply two ab initio many-body methods based on Gutzwiller wave functions, i.e., correlation matrix renormalization theory (CMRT) and Gutzwiller conjugate gradient minimization (…
Quantum-Classical Embedding via Ghost Gutzwiller Approximation for Enhanced Simulations of Correlated Electron Systems
I-Chi Chen, Aleksei Khindanov, Carlos Salazar +6
Simulating correlated materials on present-day quantum hardware remains challenging due to limited quantum resources. Quantum embedding methods offer a promising route by reducing…
Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurements
Feng Zhang, Cai-Zhuang Wang, Thomas Iadecola +2
The adaptive variational quantum dynamics simulation (AVQDS) method performs real-time evolution of quantum states using automatically generated parameterized quantum circuits that…