Quantum Chromodynamics and Particle Interactions

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

Exclusive processes in perturbative quantum chromodynamics

Particle swarm optimization

Multiple regression: testing and interpreting interactions

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

A smooth particle mesh Ewald method

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

<i>Quantum Computation and Quantum Information</i>

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Quantum computation and quantum information

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

A new optimizer using particle swarm theory

Can Quantum-Mechanical Description of Physical Reality Be Considered Complete?

Quantum Mechanical Continuum Solvation Models

Prediction of Protein-protein Interactions on the Basis of Evolutionary Conservation of Protein Functions

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Accurate structure prediction of biomolecular interactions with AlphaFold 3

Experimental observation of the quantum Hall effect and Berry's phase in graphene

A tutorial on particle filters for online nonlinear/non-Gaussian Bayesian tracking