2024-12-12 –, Mission 2
In this duo presentation, we will explore the promising impact of quantum computing on chemistry through QC2, a software that connects quantum chemistry with quantum computers. The first part will provide an overview of the need for quantum computing in chemistry, using real-world applications to illustrate its potential. We will also touch on recent advancements in drug and materials discovery, along with the opportunities and challenges posed by current NISQ quantum hardware. Finally, we will discuss the progress toward fault-tolerant systems, with the expectation of reaching over 100 logical qubits in the near future.
In the second part, we will present QC2’s modular framework, which seamlessly integrates quantum chemistry tools like PySCF and PSI4 with quantum computing platforms. This innovation streamlines quantum-enhanced simulations in the near term, enabling chemists and researchers to use cutting-edge quantum algorithms without the need to manage complex pre- and post-processing steps. The software is versatile, compatible with any quantum chemistry software, and integrates seamlessly with any quantum software development kit. Join us as we explore how these advancements are reshaping the future of quantum chemistry on quantum computers, making it accessible and user-friendly for computational chemists in both academia and industry, regardless of their expertise in quantum computing.
Carlos obtained his PhD degree in Theoretical & Computational Chemistry from the University of Coimbra. His doctoral research focused on developing quantum chemistry protocols to generate high-fidelity data for molecules relevant to atmospheric and combustion chemistry. He also contributed to the development of open-source software for fitting molecular potential energy surfaces.
In 2020, Carlos joined the Laboratory for Astrophysics group at the Leiden University as a Marie Skłodowska-Curie fellow to pursue his post-doctoral studies in molecular astrophysics. During this time, he developed computational methodologies to predict the chemical reactivity, spectroscopy, and thermodynamic stability of elusive astromolecules.
With a deep passion for scientific research and software development, Carlos joined the Netherlands eScience Center in 2023 as a Research Software Engineer. His current research interests revolve around the development and application of quantum computing and machine learning algorithms to general problems in chemistry and physics.
I am a quantum chemistry researcher specializing in heterogeneous catalysis and surface chemistry, with a focus on applying quantum algorithms to practical challenges. My expertise lies in computational and theoretical chemistry, particularly in studying molecule-surface reaction dynamics. I collaborate with industry partners to tackle real-world problems and am currently dedicated to implementing quantum algorithms in quantum chemistry and broader chemical applications.