Research Collaborator - Quantum-Centric hybrid methods for quantum chemistry (Open)

This project aims to develop and implement a novel quantum-centric QC-HPC hybrid methodology to address challenging quantum chemistry problems, specifically the calculation of ground and excited states of complex molecules. By combining the computational power of High-Performance Computing (HPC) systems and Quantum Computers (QCs), the project seeks to push the limits of quantum computing in molecular simulations.

The approach relies on implementing a Selected Configuration Interaction (SCI) framework on the HPC cluster at DIPC and leveraging QCs for efficient quantum sampling to identify the most significant configurations. This integration ensures an optimized workflow, including post-processing steps for configuration recovery and refinement, maximizing accuracy and efficiency. Additionally, novel input state preparation and iterative improvement techniques will be explored to further enhance the quantum sampling process.

Expected outcomes include the creation of a robust QC-HPC workflow, demonstrating quantum speed-up in sampling tasks, and benchmarking its performance against classical approaches. These advancements will provide new tools and methodologies for quantum chemistry, with potential applications in materials science, drug design, and beyond. The project will also strengthen collaborative ties between DIPC and IBM, utilizing the new quantum computer to be installed in Donostia.

We are looking for a postdoctoral researcher with strong background on molecular electronic structure and in the development of quantum algorithms for quantum chemistry. We expect the candidate to hold advanced level skills on scientific coding (languages: Python, Fortran, C, C++,...).

• Estimated annual gross salary: Salary is commensurate with qualifications and consistent with our pay scales
• Target start date: 2025/04/01

We provide a highly stimulating research environment, and unique professional career development opportunities.

We offer and promote a diverse and inclusive environment and welcomes applicants regardless of age, disability, gender, nationality, ethnicity, religion, sexual orientation or gender identity.

The research will be performed at the DIPC in the Molecular Electronic Structure Group (https://molecular-electronic-structure-group.github.io/), lead by David Casanova.

Interested candidates should submit an updated CV and a brief statement of interest to the following application email below. 

Reference letters are welcome but not indispensable.

The reference of the specific opening to which the candidate is applying should be stated in the subject line, and the application must be received before the application deadline.

Although candidates are welcome to contact the project supervisors to know further details about the proposed research activity, please be aware that the application will be evaluated only if it is submitted directly to the email address listed below as application email.

• Reference: 2025/05
• Application deadline: 2025/02/24
• Application email: jobs.research@dipc.org

Applications received by the deadline will be evaluated by a Committee designed by the DIPC board on the basis of the following criteria:

• CV of the candidate (40%)
• Adequacy of the candidate’s scientific background to the project (40%)
• Reference letters (10%)
• Other: Diversity in gender, race, nationality, etc. (10%)

Evaluation results will be communicated to the candidates soon after. Positions will only be filled if qualified candidates are found.

The DIPC may revoke its decision if the candidate fails to join by the appointed time, in which case the position will be awarded to the candidate with the next highest score, provided it is above 50 (out of 100).

However, the selected candidate may keep the position if, in the opinion of the Selection Committee, the candidate duly justifies the reasons why he or she cannot join before the specified deadline, and as long as the project allows it.

Este equipamiento es parte del proyecto de I+D+i PID2022-136231NB-I00, financiado por MICIU/AEI/ 10.13039/501100011033 y por FEDER, UE