Zobrazeno 1 - 10
of 1 015
pro vyhledávání: '"Pham, An Q."'
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-AFQMC has the potential to faithfully treat strongly correlated systems,
Externí odkaz:
http://arxiv.org/abs/2406.08314
The computational demand posed by applying multi-Slater determinant trials in phaseless auxiliary-field quantum Monte Carlo methods (MSD-AFQMC) is particularly significant for molecules exhibiting strong correlations. Here, we propose using direct-pr
Externí odkaz:
http://arxiv.org/abs/2306.15186
Autor:
van Heerden, Alishia1 (AUTHOR), Pham, Nam Q.1 (AUTHOR), Wingfield, Brenda D.1 (AUTHOR), Wingfield, Michael J.1 (AUTHOR), Wilken, P. Markus1 (AUTHOR) markus.wilken@fabi.up.ac.za
Publikováno v:
BMC Genomics. 10/22/2024, Vol. 25 Issue 1, p1-11. 11p.
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules, ab initio
Externí odkaz:
http://arxiv.org/abs/2209.03202
In this work, we present an overview of the phaseless auxiliary-field quantum Monte Carlo (ph- AFQMC) approach from a computational quantum chemistry perspective, and present a numerical assessment of its performance on main group chemistry and bond-
Externí odkaz:
http://arxiv.org/abs/2208.01280
Electric machine design optimization is a computationally expensive multi-objective optimization problem. While the objectives require time-consuming finite element analysis, optimization constraints can often be based on mathematical expressions, su
Externí odkaz:
http://arxiv.org/abs/2206.01695
Autor:
Alkan, Melisa, Pham, Buu Q., Del Angel Cruz, Daniel, Hammond, Jeff R., Barnes, Taylor A., Gordon, Mark S.
Publikováno v:
Journal of Chemical Physics; 8/28/2024, Vol. 161 Issue 8, p1-13, 13p
Autor:
Ly, Tuyen B., Pham, Co D., Nguyen, Anh N., Nguyen, Anh N.B., Nguyen, Nghi T., Nguyen, Lanh V., Nguyen, Quyen D., Pham, Khanh Q., Nguyen, Minh D., Le, Phung K.
Publikováno v:
In Energy for Sustainable Development June 2024 80
Autor:
van Thi, Khoa L., van Emmerik, Tim H.M., Vermeulen, Bart, Pham, Nhan Q., Hoitink, A.J.F. (Ton)
Publikováno v:
In Environmental Pollution 15 March 2024 345
Autor:
Phuong, Duy Ha Le, Alsaiari, Mabkhoot, Pham, Cham Q., Hieu, Nguyen Huu, T․ Pham, Thuy-Phuong, Rajamohan, Natarajan, Pham, Duong Dinh, Vo, Dai-Viet N., Trinh, Thanh H., Setiabudi, H.D., Nguyen, Dang Le Tri, Nguyen, Tung M.
Publikováno v:
In Journal of the Taiwan Institute of Chemical Engineers February 2024 155