GPUs as boosters to analyze scalar and vector fields in quantum chemistry

Visualization of Vector Fields in Quantum Chemistry Visualization of Vector Fields in Quantum Chemistry

Many interesting phenomena in molecular systems like interactions between macro-molecules, protein-substrate docking, or channeling processes in membranes are gouverned to a high degree by classical Coulomb or van-der-Waals forces. The visualization of these force elds is important for verifying numerical simulations. Moreover, by inspecting the forces visually we can gain deeper insight into t...

Visualization of Scalar and Vector Fields

Quantum complex scalar fields and noncommutativity

In this work we analyze complex scalar fields using a new framework where the object of noncommutativity θ represents independent degrees of freedom. In a first quantized formalism, θ and its canonical momentum πμν are seen as operators living in some Hilbert space. This structure is compatible with the minimal canonical extension of the Doplicher-Fredenhagen-Roberts (DFR) algebra and is invari...

Nonequilibrium Quantum Scalar Fields in Cosmology

We elaborate further the functional Schrödinger-picture approach to the quantum field in curved spacetimes using the generalized invariant method and construct explicitly the Fock space, which we relate with the thermal field theory. We apply the method to a free massive scalar field in the de Sitter spacetime, and find the exact quantum states, construct the Fock space, and evaluate the two-po...

Composite nucleons in scalar and vector mean fields.

We emphasize that the composite structure of the nucleon may play quite an important role in nuclear physics. It is shown that the momentum-dependent repulsive force of second order in the scalar field, which plays an important role in Dirac phenomenology, can be found in the quark-meson coupling (QMC) model, and that the properties of nuclear matter are well described through the quarkscalar d...