Results 201 to 210 of about 873,854 (287)

Assessment of Free Energies From Electrostatic Embedding Density Functional Tight Binding‐Based/Molecular Mechanics in Periodic Boundary Conditions

open access: yesJournal of Computational Chemistry, Volume 46, Issue 11, April 30, 2025.
ABSTRACT Electrostatic embedding quantum mechanics/molecular mechanics (QM/MM) methods in periodic boundary conditions (PBC) can successfully describe the condensed phase reactivity of a fragment treated at the QM level with an atomistic description of an electrostatic environment treated at the MM level.
Simone Bonfrate   +5 more
wiley   +1 more source

Simulating two-dimensional lattice gauge theories on a qudit quantum computer. [PDF]

open access: yesNat Phys
Meth M   +13 more
europepmc   +1 more source

Emergent gauge fields in band insulators. [PDF]

open access: yesProc Natl Acad Sci U S A
Han Z, Kivelson SA.
europepmc   +1 more source

Quantum Error Mitigation in Optimized Circuits for Particle-Density Correlations in Real-Time Dynamics of the Schwinger Model. [PDF]

open access: yesEntropy (Basel)
Pomarico D   +7 more
europepmc   +1 more source

Home - About - Disclaimer - Privacy