Results 261 to 270 of about 54,422 (320)
Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations
Advanced Science, EarlyView.Quantum mechanics/molecular mechanics (QM/MM) simulations are powerful tools for modeling complex molecular systems; however, their predictability has been constrained by the ambiguous definition of the QM region. An electronically informed protocol is introduced that defines QM regions by quantifying guest‐induced orbital shifts and charge ...
Nichika Ozawa +2 more
wiley +1 more source
What Is Ontic and What Is Epistemic in the Quantum Mechanics of Spin? [PDF]
Entropy (Basel)Caticha A.
europepmc +1 more source
Scrambling‐Enhanced Quantum Battery Charging in Black Hole Analogues
Advanced Science, EarlyView.By employing a black‐hole‐analog quantum battery constructed from a position‐dependent XY model, its dynamical behavior is investigated through a quench of the scrambling parameter. It is systematically quantified that how the simulated scrambling improves key performance metrics‐namely, stored energy, peak power, and charging time‐thereby offering a ...
Zhilong Liu +3 more
wiley +1 more source
Chemical Bonding in Monosubstituted Aromatic Molecules from Full-Valence Modern Ab Initio Valence Bond Calculations. [PDF]
J Phys Chem ABarbosa AGH, Monteiro JGS.
europepmc +1 more source
Stochastic interpretation of quantum mechanics assuming that vacuum fields are real
Emilio Santos
openalex +1 more source
Time-dependent cosmological interpretation of quantum mechanics
, 2016 Emmanuel Moulay
openalex +1 more source
Quantum Collapse and Computation in an Everett Multiverse. [PDF]
Entropy (Basel)Tamburini F, Licata I.
europepmc +1 more source
The Group-Algebraic Formalism of Quantum Probability and Its Applications in Quantum Statistical Mechanics. [PDF]
Entropy (Basel)Gu Y, Wang J.
europepmc +1 more source