Sökning: "Computational Quantum Dynamics"
Visar resultat 1 - 5 av 64 avhandlingar innehållade orden Computational Quantum Dynamics.
1. Numerical Quantum Dynamics
Sammanfattning : We consider computational methods for simulating the dynamics of molecular systems governed by the time-dependent Schrödinger equation. Solving the Schrödinger equation numerically poses a challenge due to its often highly oscillatory solutions, and to the exponential growth of work and memory with the number of particles in the system. LÄS MER
2. Numerical Methods for Wave Propagation : Analysis and Applications in Quantum Dynamics
Sammanfattning : We study numerical methods for time-dependent partial differential equations describing wave propagation, primarily applied to problems in quantum dynamics governed by the time-dependent Schrödinger equation (TDSE). We consider both methods for spatial approximation and for time stepping. LÄS MER
3. Computational Ecotoxicology
Sammanfattning : Human society has progressed by polluting ecosystems since at least the early industrial revolution. Large amounts of harmful chemical compounds have been dispersed in soils, seas, ground waters and wildlife habitats by industrial and anthropomorphic activities over the last two centuries, leading to a persistent toxicological load on the environment. LÄS MER
4. Numerical methods for quantum molecular dynamics
Sammanfattning : The time-dependent Schrödinger equation models the quantum nature of molecular processes. Numerical simulations of these models help in understanding and predicting the outcome of chemical reactions. LÄS MER
5. Efficient and Reliable Simulation of Quantum Molecular Dynamics
Sammanfattning : The time-dependent Schrödinger equation (TDSE) models the quantum nature of molecular processes. Numerical simulations based on the TDSE help in understanding and predicting the outcome of chemical reactions. LÄS MER