Project B05: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes

Multiscaling techniques that involve a quantum-chemical treatment of the electronic structure for the part with the highest resolution are promising computational tools. They...

Projects - B: Particle based coarse-graining and mixed resolution schemes
- Project B05: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes

Followers: 0

Datasets: 8

Members: 0

Organizations

Groups

Tags

Formats

Licenses

close

Publication: Melega et al (2026) - A novel implementation of CCSD analytic...

Data related to Melega, L., Nottoli, T., Gauss, J.& Lipparini, F (2026): J. Phys. Chem. A 130, 2097-2111 (2026); Doi:10.1021/acs.jpca.5c08579 (open ac-cess)
- link
Publication: Burger et al (2025) - Cholesky decomposition and the...

Metadata only
- link
Publication: Uhlirova et al (2024) - Cholesky decomposition in spin-free...

Metadata only
- link
Blaschke et al (2024) - Efficient approximate screening techniques for...

Data related to Blaschke, S., Kitsaras, M.-P. & Stopkowicz, S (2024): Phys. Chem. Chem. Phys. 26, 28828-28848.
- link
Publication: Nottoli et al (2023) - A novel coupled-cluster singles and...

Data related to the publication
- link
Publication: Gauss et al (2023) - Cholesky decomposition of two-electron...

Metadata only
- link