Shang, Honghui
- NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry
2023/06/29 by Wu, Yangjun, Guo, Chu, Fan, Yi +2 · 8 citations
#Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #FOS: Physical sciences #Quantum Physics (quant-ph)
- Towards practical and massively parallel quantum computing emulation for quantum chemistry
2023/03/07 by Honghui Shang, Shang, Honghui, Fan Yi +13 · 5 citations
Computer Science · #Distributed and Parallel Computing Systems #FOS: Physical sciences #Parallel Computing and Optimization Techniques #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph)
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Carlos Mera Acosta, Abbott, Joseph W. +405 · 3 voices · 7 citations
#cond-mat.mtrl-sci #physics.chem-ph
- Large-Scale Simulation of Quantum Computational Chemistry on a New Sunway Supercomputer
2022/07/08 by Honghui Shang, Li Shen, Shang, Honghui +25 · 3 citations
Computer Science · #Chemical Physics (physics.chem-ph) #Cloud Computing and Resource Management #FOS: Physical sciences #Parallel Computing and Optimization Techniques #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph)
- Solving Schrödinger Equation with a Language Model
2023/07/18 by Honghui Shang, Shang, Honghui, Chu Guo +5 · 3 citations
Computer Science · #Computational Physics and Python Applications #FOS: Physical sciences #Neural Networks and Applications #Quantum Physics (quant-ph)
- Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks
2021/09/02 by Muhammad Nawaz Tahir, Tong Zhu, Tahir, Muhammad N. +9 · 2 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Nuclear Materials and Properties #Quantum, superfluid, helium dynamics
- A real neural network state for quantum chemistry
2023/01/10 by Yangjun Wu, Xiansong Xu, Wu, Yangjun +9 · 2 citations
Computer Science · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Machine Learning in Materials Science #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph) #Spectroscopy and Quantum Chemical Studies
- Analytical gradients of random-phase approximation plus corrections from renormalized single excitations
2025/05/12 by Tahir, Muhammad N., Shang, Honghui, Ren, Xinguo · 2 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals
2025/01/27 by Box, Connor L., Maurer, Reinhard J., Shang, Honghui +4 · 1 citation
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)