3 papers
physics.chem-ph2026
Integrated Alchemical and Conformational Enhanced Sampling for Solvation Free Energy Calculations
Gabriela B. Correa, Charlles R. A. Abreu, Nisanth N. Nair +1
Accurate solvation free energies from molecular dynamics simulations require efficient sampling of coupled slow variables, including solvent coordinates, solute conformational mode…
math.CO2025
Strong chordality in tournaments and multipartite tournaments with possible loops
Pavol Hell, César Hernández-Cruz, Jing Huang
Strongly chordal digraphs are included in the class of chordal digraphs and generalize strongly chordal graphs and chordal bipartite graphs. They are the digraphs that admit a line…
cs.DM2024
List homomorphisms to separable signed graphs
Jan Bok, Richard Brewster, Tomás Feder +2
The complexity of the list homomorphism problem for signed graphs appears difficult to classify. Existing results focus on special classes of signed graphs, such as trees and refle…