Generating Approximate Ground States of Molecules Using Quantum Machine Learning

Explore a lecture on generating approximate ground states of molecules using quantum machine learning. Delve into the challenges of sampling ground states over high-dimensional potential energy surfaces (PES) and discover a novel approach using generative quantum machine learning models. Learn how classical neural networks can be utilized to convert nuclear coordinates into quantum parameters for variational quantum circuits. Examine the training process using quantum data and fidelity loss functions. Investigate the method's effectiveness in preparing wavefunctions for hydrogen chains, water, and beryllium hydride. Analyze theoretical limitations and lower bounds on quantum data requirements. Gain insights into the importance of quantum chemistry as a use case for quantum machine learning and its implications for understanding chemical reactions from first principles.

Marika Maria Kieferova - Generating Approx. Ground State of Molecules Using Quantum Machine Learning