Vacant job

Being a PhD Student

As a PhD student, you are both admitted as a student and employed by Lund University.

As a doctoral researcher, you are trained in a scientific approach. Briefly, this means you will practice critical and analytical thinking, solve problems independently using appropriate methods, and develop research ethics awareness. Additionally, as a PhD student, you will have the opportunity to work on projects, develop your leadership skills, and enhance your pedagogical abilities. Throughout your studies, you will be guided by supervisors. The doctoral studies conclude with a thesis and a PhD degree.

Project Description

Calculating precise estimates of binding affinity for small molecules (e.g., drug candidates) to a macromolecular receptor (e.g., a protein) is one of the greatest challenges in computational chemistry. The PhD student will develop physics-informed machine learning models to predict binding affinities in rational drug design of small molecules. The models will enable the prioritization of candidates from hit discovery to lead optimization. The project is based on physics-based methods such as MM/PBSA, free energy perturbation, SQM 2.20, and fragment molecular orbital calculations, and will utilize modern machine learning techniques to improve predictions and select physical information crucial for these predictions.

Responsibilities

You will primarily focus on your doctoral education, which includes participation in research projects, doctoral courses, seminars, and conferences. You will perform physics-based methods to estimate absolute and relative binding free energies. Based on these, you will develop machine learning models to improve the estimated binding affinities. Your duties may also include participation in teaching and other departmental work (max 20% of working time).

Qualifications

To be admitted and employed as a PhD student, you must meet the requirements below.

Eligibility Requirements

General eligibility for doctoral education is met if you have:

• completed an advanced level degree or
• completed course requirements of at least 240 higher education credits, of which at least 60 credits are at the advanced level or
• acquired substantially equivalent knowledge in some other way.

Special eligibility for computational chemistry is met if you have:

• A Master's degree in computational chemistry, bioinformatics, machine learning, computer science, mathematics, statistics, physics, or a similar field.

Other Requirements

To benefit from the current doctoral education, the following is also required:

• Demonstrated proficiency in programming, e.g., in Python.
• Good ability to work independently and to formulate and tackle scientific problems.
• Good written and oral communication skills.
• Good knowledge of English, both spoken and written.
• High ability to collaborate and strong motivation to work in this field.

Merits

The following are considered merits for the current doctoral education:

• Practical experience with modern machine learning methods applied to scientific problems.
• Practical experience with molecular modeling, including molecular mechanics, molecular dynamics, and quantum mechanics.
• Practical experience with predicting binding affinities for small molecules, e.g., MM/PBSA and free energy perturbation.
• Experience with computational workflows and high-performance computing environments.
• Experience with workflow automation and collaborative software development.
• Courses in quantum mechanics, statistical mechanics, medicinal chemistry, and bioinformatics.

We Offer

Lund University is a government agency, which means you receive special benefits, generous vacation time, and a favorable occupational pension.

More about working at Lund University at lu.se: https://www.lu.se/en/about-the-university/working-at-lund-university (https://www.lu.se/en/about-the-university/working-at-lund-university)

About the Employment

The position is a fixed-term full-time employment, starting 2026-09-01 or by agreement. The doctoral education is four years for full-time studies. In case of teaching and other departmental work, the employment is extended accordingly. Regulations regarding employment as a PhD student are found in the Higher Education Ordinance (1993:100), Chapter 5, Sections 1-7.

More about employment terms for PhD students on Lund University's employee web: https://www.medarbetarwebben.lu.se/forska-och-utbilda/stod-till-forskning/utbildning-pa-forskarniva/anstallningsvillkor-doktorander (https://www.medarbetarwebben.lu.se/forska-och-utbilda/stod-till-forskning/utbildning-pa-forskarniva/anstallningsvillkor-doktorander)

How to Apply

The application must be written in English and should include:

• CV and a cover letter explaining why you are interested in the position and how the research project matches your interests and educational background.
• Copies of issued transcripts and/or degree certificates. These must verify your general and special eligibility for the doctoral subject and demonstrate that you have the subject knowledge required for the doctoral project.
• Any other documents you wish to submit (copies of grades, reference contacts, recommendation letters, etc.).

We look forward to receiving your application!

The Faculty of Science conducts research and education in astronomy, biology, physics, geoscience, chemistry, mathematics, medical radiation physics, environmental science, and physical geography. Activities are carried out in the northern university area. The Faculty has approximately 1,900 students, 330 doctoral students, and 730 employees.

We decline all contacts from advertisement salespeople, recruitment, and staffing companies due to public procurement regulations.

Open to All
We focus on your competence, not your other prerequisites. We are open to adapting the role or workplace to your needs.