7 citations · 14 across the 5 of their papers we have counts for
Showing physics.chem-phShow all
3 papers · 1 filter
physics.chem-ph2025
Quantum Many-Body Simulations of Catalytic Metal Surfaces
Changsu Cao, Hung Q. Pham, Zhen Guo +5
Quantum simulations of metal surfaces are critical for catalytic innovation. Yet existing methods face a cost-accuracy dilemma: density functional theory is efficient but system-de…
physics.chem-ph2025★ 7 cited
ByteQC: GPU-Accelerated Quantum Chemistry Package for Large-Scale Systems
Zhen Guo, Zigeng Huang, Qiaorui Chen +7
Applying quantum chemistry algorithms to large-scale systems requires substantial computational resources scaled with the system size and the desired accuracy. To address this, Byt…
physics.chem-ph2024★ 5 cited
GPU-accelerated Auxiliary-field quantum Monte Carlo with multi-Slater determinant trial states
Yifei Huang, Zhen Guo, Hung Q. Pham +1
The accuracy of phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) can be systematically improved with better trial states. Using multi-Slater determinant trial states, ph-AF…