Exact NMR simulation of protein-size spin systems using tensor train formalism
We introduce a new method, based on alternating optimization, for compact representation of spin Hamiltonians and solution of linear systems of algebraic equations in the tensor train format. We demonstrate the method's utility by simulating, without approximations, a N15 NMR spectrum of ubiqui...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
2014-08-25.
|
| Subjects: | |
| Online Access: | Get fulltext |