Sökning: "Christian Lubich"

Hittade 1 avhandling innehållade orden Christian Lubich.

1. 1. Efficient and Reliable Simulation of Quantum Molecular Dynamics

   Författare :Katharina Kormann; Sverker Holmgren; Gunilla Kreiss; Hans O. Karlsson; Christian Lubich; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; time-dependent Schrödinger equation; quantum optimal control; exponential integrators; spectral elements; radial basis functions; global error control and adaptivity; high-performance computing implementation; Beräkningsvetenskap med inriktning mot numerisk analys; Scientific Computing with specialization in Numerical Analysis;

   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