Doctoral student in Theoretical Chemistry and Biology Full-time NEW

Doctoral Student In Theoretical Chemistry And Biology

School of Engineering Sciences in Chemistry, Biotechnology and Health at KTH

Project Description

Third-cycle subject: Chemistry

This PhD project focuses on extending the VeloxChem quantum-chemistry software with advanced NMR and EPR spectroscopic functionality, enabling high-accuracy predictions of magnetic resonance properties from first principles. The work will involve developing and implementing response-theory methods for nuclear magnetic shielding, spin–spin couplings, hyperfine interactions, and g-tensors within VeloxChem's modern GPU-accelerated computational framework.

Once implemented, these new capabilities will be applied to biochemical systems, such as enzyme active sites, metalloproteins, and biomolecular complexes, where magnetic resonance measurements provide critical structural and mechanistic insights. The project therefore combines methodological innovation with chemically relevant applications, offering the candidate the opportunity to work at the interface of theoretical chemistry, high-performance computing, and biomolecular spectroscopy.

Supervision: Patrick Norman is proposed to supervise the doctoral student. Decisions are made on admission

Admission Requirements

To be admitted to postgraduate education (Chapter 7, 39 § Swedish Higher Education Ordinance), the applicant must have basic eligibility in accordance with either of the following:

• passed a second cycle degree (for example a master's degree), or
• completed course requirements of at least 240 higher education credits, of which at least 60 second-cycle higher education credits, or
• acquired, in some other way within or outside the country, substantially equivalent knowledge

In addition to the above, there is also a mandatory requirement for English equivalent to English B/6.

Selection

In order to succeed as a doctoral student at KTH you need to be goal oriented and persevering in your work. During the selection process, candidates will be assessed upon their ability to:

• independently pursue his or her work
• collaborate with others,
• have a professional approach and
• analyze and work with complex issues.

After the qualification requirements, great emphasis will be placed on personal skills.

Target Degree: Doctoral Degree

Information Regarding Admission And Employment

Only those admitted to postgraduate education may be employed as a doctoral student. The total length of employment may not be longer than what corresponds to full-time doctoral education in four years' time. An employed doctoral student can, to a limited extent (maximum 20%), perform certain tasks within their role, e.g. training and administration. A new position as a doctoral student is for a maximum of one year, and then the employment may be renewed for a maximum of two years at a time.

As a doctoral student, you are entitled to a workplace with many employee benefits and monthly salary according to KTH's Doctoral student salary agreement. Read more about Doctoral studies (PhD) | KTH | Sweden.