Dr. Horia F. Pop, Professor of Computer Science

Obiective specifice

1. Dezvoltarea unui nou instrument teoretic, capabil sa ofere o intelegere mai profunda a dinamicii in sisteme de spini nucleari puternic cuplati dipolar, si care sa permita astfel abordarea cu succes a noilor provocari in spectroscopia RMN-S moderna.
2. Demonstrarea utilitatii practice a noului cadru teoretic in procesul de dezvoltare metodologica in RMN-S.
3. Identificarea perspectivelor de viitor si a potentialelor noi aplicatii.

Obiective măsurabile

1. Module SD-CAS alcatuite din biblioteci de functii specializate pentru: algebra spinilor 1/2, interactiuni de spin, evolutie cuantica in spatiul Liouville, precum si module care incorporeaza diferite metode de aproximare;
2. Rutine SD-CAS pentru analiza dinamicii de spin in experimente RMN-S;
3. Noi solutii pentru elemente constructive cheie in spectroscopia RMN-S moderna: decuplare homonucleara ¹H - ¹H, transfer de polarizare (coerente) ¹H - ¹³C, si excitare selectiva a coerentelor MQ in conditii MAS;
4. Rutine SD-CAS specializate pentru analiza fenomenelor de decoerenta in QIP, si a dinamicii spinilor nucleari cuplati dipolar in conditii specifice tehnicii MRFM.

Specific objectives

1. Develop a new theoretical tool capable to provide deeper insights into the dynamics of strongly dipolar coupled nuclear spins, and thus to successfully address the new challenges in modern SS-NMR spectroscopy.
2. Demonstrate the practical applicability of the new theoretical tool in the process of SS-NMR methodological development.
3. Identify future perspectives and potential new applications.

Measurable objectives

1. SD-CAS modules that contain libraries of specialized functions for: spin-1/2 algebra, nuclear spin interactions, Liouville-space quantum evolution, and also specialized modules for incorporating different approximation methods;
2. SD-CAS routines for analyzing spin dynamics in various SS-NMR experiments;
3. Improved solutions for key building blocks in modern SS-NMR techniques: ¹H - ¹H homonuclear decoupling, ¹H - ¹³C polarization (coherence) transfer, and selective MQ excitation under MAS;
4. Specialized SD-CAS routines for analyzing decoherence in SS-NMR implementations of QIP, and dynamics of dipolar coupled nuclear spins under specific conditions of MRFM.