Defining Qubit Properties in the Early Actinides

The realization of a quantum computer would change our world by decreasing computation times and cracking currently highly safe encryption algorithms. The <i>f</i>-element systems have shown exceptional promise in quantum information processing (QIP). Specifically, relativistic effects cause the energetics of the 5<i>f</i> and 6<i>d</i> orbitals to change as the actinide series is traversed left to right, imparting a rich and complex chemistry wherein control of quantum bit (qubit) could be possible. This talk will explore high-valent 5<i>f</i>¹ actinide complexes as qubits by evaluating how its unique atomic properties, including spin-orbit coupling (SOC), crystal electric field (CEF), and nuclear spin, can be exploited through coordination chemistry to observe long-lived coherence times. Specifically, we will discuss purification of legacy actinide material, synthesis of potential actinide qubits, and development of first-principles derivation of SOC and CEF parameters for 5<i>f</i>¹ complexes. The research will leverage both experimental and theoretical findings to generate a set of features to enhance quantum coherences in actinide molecules.