30 citations · 43 across the 8 of their papers we have counts for
9 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…
Disentangling electronic and phononic contributions to high-temperature superconductivity in X2MH6 hydrides
Feng Zheng, Shiya Chen, Zhen Zhang +7
Understanding the factors that control superconductivity is essential for discovering new superconducting materials using high-throughput elemental substitution. Focusing on the re…
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 (…
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…
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…
Adaptive variational ground state preparation for spin-1 models on qubit-based architectures
João C. Getelina, Cai-Zhuang Wang, Thomas Iadecola +2
We apply the adaptive variational quantum imaginary time evolution (AVQITE) method to prepare ground states of one-dimensional spin models. We compare different spin-to-qubit…
Efficient and accurate treatment of electron correlations from first-principles
Y. X. Yao, J. Liu, C. Liu +3
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditio…
A comparative study of the electronic and magnetic properties of BaFe_2As_2 and BaMn_2As_2 using the Gutzwiller approximation
Y. X. Yao, J. Schmalian, C. Z. Wang +2
To elucidate the role played by the transition metal ion in the pnictide materials, we compare the electronic and magnetic properties of BaFe_{2}As_{2} with BaMn_{2}As_{2}. To this…