MSCA PhD position - Design and phase diagram of eutectic and amorphous binary mixtures of active pharmaceutical ingredients and excipients for enhanced dissolution and stability.

Universitat Politècnica de Catalunya (UPC)- BarcelonaTECH; España; On-site; EUR 40,000 - 44,000; Full time

Benefits offered by this job

Mobility allowance

Family allowance

Living allowance

Job summary

The Universitat Politècnica de Catalunya (UPC) – BarcelonaTech offers a 3-year PhD position funded under the MSCA Doctoral Network IDEAS. The project focuses on design and phase diagram of eutectic and amorphous binary mixtures of APIs and excipients, with emphasis on ML-based prediction and non-equilibrium phase behavior.

The doctoral candidate will spend time at the UPC campus in Barcelona with two three-month secondments at the University of Silesia (Poland) and Janssen Pharmaceutica

Qualifications

• MSc degree in Physics, Chemistry, Materials Science or related.
• Experience with computational research.
• Knowledge of at least one computational technique (MD, quantum calculations or ML).
• Proficiency in English (CEFR B2 or higher).
• Eligible to enrol in UPC IDEAS PhD programme.

Responsibilities

• Manage and carry out the individual research project.
• Participate in the IDEAS training and network activities.
• Take PhD courses and write articles and the PhD thesis.
• Disseminate the research outcomes and present at meetings.
• Participate in undergraduate teaching.

Skills

Computational research

Machine learning

Scientific writing

Public speaking

Education

MSc in Physics

MSc in Chemistry

MSc in Materials Science

Tools

Molecular dynamics

Quantum calculations

Graph neural networks

Job description

Organisation/Company Universitat Politècnica de Catalunya (UPC)- BarcelonaTECH Department Physics Research Field Physics » Computational physics Physics » Chemical physics Technology » Pharmaceutical technology Chemistry » Computational chemistry Researcher Profile First Stage Researcher (R1) Positions PhD Positions Application Deadline 30 Nov 2026 - 23:59 (Europe/Madrid) Country Spain Type of Contract Temporary Job Status Full-time Offer Starting Date 1 Mar 2027 Is the job funded through the EU Research Framework Programme? Horizon Europe - MSCA Reference Number IDEAS-DC2-UPC Marie Curie Grant Agreement Number 101312168 Is the Job related to staff position within a Research Infrastructure? No

Offer Description

3-year PhD position financed in the framework of the MSCA Doctoral Network IDEAS

General job description

• manage and carry out the individual research project;
• participate in the joint IDEAS training and network activities;
• take PhD courses;
• write scientific articles and the PhD thesis;
• participate in national and international congresses and scientific meetings;
• research stay at external research laboratories or company sites;
• disseminate the research outcomes;
• participate in the undergraduate teaching of students.

DC 2 – Design and phase diagram of eutectic and amorphous binary mixtures of active pharmaceutical ingredients and excipients for enhanced dissolution and stability.

Context: Understanding and exploiting eutectic and amorphous phase behaviour offers a powerful route to enhance the dissolution and stability of poorly soluble active pharmaceutical ingredients (APIs). Eutectic systems, comprising small-molecule API–API or API–coformer combinations, exhibit characteristic melting point depressions and complex solid–liquid equilibria that can facilitate low-temperature amorphization and improve processability. Despite their potential, the thermodynamic and kinetic principles governing the formation, stability, and dissolution of such systems remain incompletely understood.

Objectives: This project aims to explore both the equilibrium and non-equilibrium phase behaviour of small-molecule binary mixtures comprising API and co n former or API–API combinations, and to elucidate their fundamental physicochemical properties. Particular emphasis will be placed on understanding eutectic phase formation and the potential of such systems to yield amorphous mixtures with improved kinetic stability and dissolution performance. Graph-based machine learning (ML) models will be employed to predict binary choices of APIs or API-excipient capable of forming eutectic mixtures with the desired compositions and melting points.

Work location: The project will be carried out at the EEBE-CDB campus of the Universitat Politècnica de Catalunya (UPC-BarcelonaTech) located in Barcelona, Spain, with two three-months secondment periods, respectively at:

• U niversity of Silesia in Katowice ( Poland ): Complementary study the impact of pressure in phase diagram;
• J anssen Pharmaceutica (Belgium): Exposure to industry R&D, and study of molecular interactions in developed systems.

Expected results:New experimentally verified eutectic systems; Mechanistic and practical framework for using eutectics as a route to stable, high-performance amorphous drug formulations; State-of-the-art, trained convolutional graph neural networks as a predictive tool for eutectic formulation design.

Research Methodology: the doctoral candidate will integrate various methodologies:

• Data-driven molecular design and machine learning: application of generative models to identify and predict API–API and API–coformer systems likely to form low-melting eutectics.
• Experimental phase diagram construction: determination of phase boundaries and transitions using differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and hot-stage microscopy.
• Thermal and spectroscopic characterization: detailed probing of solid–liquid equilibria and amorphous phase formation.
• Melt-quenching and relaxation studies: assessment of non-equilibrium behavior and physical stability.
• Dissolution and release kinetics: measurement in biorelevant media to establish structure–property–performance relationships.

Applicants must hold a Master's degree or equivalent in Physics, Chemistry, Materials science or similar providing access to PhD programs and should have preferably experience with computational methods and research.

General requirements for admission into IDEAS

• Applicants must be eligible (see eligibility criteria below)
• Applicants must hold a MSc or equivalent degree in a related subject area, as required by the specific research project (see below).
• Applicants must have the necessary academic skills and background to make the success of a doctoral degree. The skills needed will depend on the project chosen.
• Applicants must be sufficiently proficient in written and spoken English (English CEFR at least B2, preferable C1 or higher. IELTS 6, preferably higher. Project-specific requirements apply).
• Applicants must be eligible to enrol in a PhD programme at the at the Universitat Politècnica de Catalunya (UPC).

Furthermore, all future doctoral candidates of IDEAS should demonstrate:

• A high willingness to travel.
• Independent problem-solving skills.
• High resilience and flexibility.
• Integrity, team spirit, dedication to science and learning, dependability, punctuality, pro-activity.
• Interest to work in an intersectoral, interdisciplinary team and to learn new techniques, methods etc. also outside their comfort zone.
• A high competence level in scientific writing and public speaking as required by the discipline of the project.
• Proficiency with computers, office, web-based learning.
• Willingness to participate in outreach activities, conferences, extracurricular events etc.

Specific Requirements

• MSc degree in Physics, Chemistry, Materials science or a related subject.
• Experience with computational research
• Good knowledge of at least one computational technique (molecular dynamics simulation, quantum mechanics calculation or machine learning).
• Experience with molecular materials of pharmaceutical interest is a major advantage.
• Hands-on experience and knowledge of molecular materials physical characterization (structure, dynamics, thermodynamics) and transformations (quench from the melt, milling…) is a plus.
• Willingness to teach, train, and supervise undergraduate and postgraduate students.

Languages ENGLISH Level Excellent

Additional Information

The Doctoral candidates will be hired with a three-years, full-time contract. The monthly salary will consist of:

• Living allowance (gross): 2805 € per month
• Mobility allowance (gross): 520 € per month
• Family allowance (gross): 360 € per month*

The annual gross salary of the Doctoral candidate will amount to 39.902,14€+ family allowance, if applicable.*

The provided figure represents the gross annual salary without family allowance, and is subject to deductions of employee's contributions to income tax, national social security, etc.

*The family allowance is given only for those with families defined as persons linked to the researcher by (i) marriage, or (ii) a relationship with equivalent legal status to a marriage, or (iii) with dependent children.

Eligibility criteria

The applicant must comply with the following criteria to be eligible for any project in IDEAS:

• Applicants must fulfil the mobility rule: Applicants must not have resided or carried out their main activity (work, studies, etc.) in Spain for more than 12 months in the 3 years immediately before the recruitment date. (Compulsory national service, short stays such as holidays, and time spent as part of a procedure for obtaining refugee status are not taken into account.).
• Applicants must not hold a PhD or equivalent doctoral degree.
• Applicants must not have a conflict-of-interest with their future supervisors (family, relationship, economic interest…).

Additional comments

Application deadline: 30.11.2026We may accept applications after this date, until all positions are filled.

Start date for doctoral candidates:Between 01. 03 .202 7 and 01 . 09 .2027