REST(Rust-based electronic structure toolkit)is a modern open-source electronic structure code entirely written in Rust,combining high performance,memory safety,and expressive concurrency.As a community-driven project...REST(Rust-based electronic structure toolkit)is a modern open-source electronic structure code entirely written in Rust,combining high performance,memory safety,and expressive concurrency.As a community-driven project,its source code is freely available at https://gitee.com/restgroup,fostering open collaboration and transparent development.It supports a wide range of density functional methods-from local density approximation(LDA),generalized gradient approximation(GGA),meta-GGA,and hybrids to doubly hybrids,as well as machine learning-augmented functionals-enabling high-accuracy simulations with low computational overhead.Its“disk-free”RI-based(RI:resolution-of-the-identity)implementation and efficient shared-memory parallelism(via Rayon)ensure rapid calculations even for challenging systems.REST also of-fers unique user support through large language model-assisted input generation and develop-erfriendly tensor libraries for rapid algorithm prototyping.展开更多
The author wanders with her pen,using vibrant colors and free lines to depict her focused illustration study time in Maryland and spontaneous travels in the United States.In her fearless twenties,she adventured and en...The author wanders with her pen,using vibrant colors and free lines to depict her focused illustration study time in Maryland and spontaneous travels in the United States.In her fearless twenties,she adventured and encountered the unknown.She learned about insomnia in Maryland,crossed Central Park in Manhattan alone at midnight,had American students pull her wisdom teeth during her internship,got stuck in the desert of Los Angeles in nearly 40°C heat,and jumped into the ocean in Miami wearing jeans.Those uncertainties and surprises deeply fascinated her,inspiring her creativity and passion for life.展开更多
基金supported by the National Natural Science Foundation of China (Nos. 22125301, 22393911, 22393912, 22321003, 22233002)the Innovation Program for Quantum Science and Technology (2021ZD0303305)the robotic AI-Scientist platform of the Chinese Academy of Science。
文摘REST(Rust-based electronic structure toolkit)is a modern open-source electronic structure code entirely written in Rust,combining high performance,memory safety,and expressive concurrency.As a community-driven project,its source code is freely available at https://gitee.com/restgroup,fostering open collaboration and transparent development.It supports a wide range of density functional methods-from local density approximation(LDA),generalized gradient approximation(GGA),meta-GGA,and hybrids to doubly hybrids,as well as machine learning-augmented functionals-enabling high-accuracy simulations with low computational overhead.Its“disk-free”RI-based(RI:resolution-of-the-identity)implementation and efficient shared-memory parallelism(via Rayon)ensure rapid calculations even for challenging systems.REST also of-fers unique user support through large language model-assisted input generation and develop-erfriendly tensor libraries for rapid algorithm prototyping.
文摘The author wanders with her pen,using vibrant colors and free lines to depict her focused illustration study time in Maryland and spontaneous travels in the United States.In her fearless twenties,she adventured and encountered the unknown.She learned about insomnia in Maryland,crossed Central Park in Manhattan alone at midnight,had American students pull her wisdom teeth during her internship,got stuck in the desert of Los Angeles in nearly 40°C heat,and jumped into the ocean in Miami wearing jeans.Those uncertainties and surprises deeply fascinated her,inspiring her creativity and passion for life.
