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Fully Funded Ph.D. Position in Computational Chemistry & Solar-Energy Materials | INMA-CSIC / University of Zaragoza
Institution: Instituto de Nanociencia y Materiales de Aragón (INMA) – CSIC / Universidad de Zaragoza
Research Group: Dr. Olga Stasyuk / Research Group
📍 Location: Zaragoza, Spain
💼 Position Available: Ph.D. Student / Doctoral Researcher
🔬 Research Area: Computational Chemistry | Molecular Modeling | Porous Organic Cages | Solar-Energy Conversion | Machine Learning | Photophysics | Molecular Dynamics | Quantum Chemistry
The Instituto de Nanociencia y Materiales de Aragón (INMA), a joint research institute of CSIC and the University of Zaragoza, is offering a Ph.D. position focused on the computational design of porous organic cages (POCs) as programmable molecular environments for solar-energy conversion.
The project combines quantum chemistry, molecular dynamics, and machine learning to understand and predict the photophysical properties of molecular systems, with particular emphasis on photoinduced electron transfer and singlet fission for next-generation solar-energy materials.
The position is supported through research grants funded by MICIU/AEI and the European Social Fund (ESF).
🔬 What You’ll Work On
Porous Organic Cages for Solar Energy
Design and investigate porous organic cages (POCs) that can function as programmable molecular environments for solar-energy conversion.
The project will explore how molecular structure and environment can be engineered to obtain desirable photophysical properties.
Quantum Chemistry & Molecular Dynamics
Combine quantum-chemical calculations and molecular dynamics simulations to investigate molecular structures, interactions, and photophysical behaviour.
Machine Learning for Molecular Properties
Develop and apply machine learning models to predict molecular and photophysical properties, supporting the computational discovery of promising materials.
Photoinduced Electron Transfer
Investigate photoinduced electron-transfer processes and their role in the development of advanced materials for solar-energy conversion.
Singlet Fission
Study singlet-fission processes as a promising strategy for developing next-generation solar-energy materials with enhanced photophysical performance.
Computational Materials Design
Contribute to the computational design of next-generation materials for solar-energy applications by integrating computational chemistry, molecular simulation, and machine learning.
🎯 Your Role
The selected Ph.D. researcher will be expected to:
- Perform quantum-chemical calculations and molecular dynamics simulations.
- Design and investigate porous organic cages.
- Develop and apply machine-learning models for predicting molecular properties.
- Study photoinduced electron-transfer processes.
- Investigate singlet-fission mechanisms.
- Analyze molecular structures and photophysical properties.
- Contribute to the computational design of advanced solar-energy materials.
- Work with interdisciplinary computational and experimental research teams.
- Disseminate research findings through scientific publications.
- Present research results at conferences and other academic activities.
- Contribute to the development of innovative computational approaches for molecular materials research.
🧪 Research Focus
The Ph.D. project focuses on the development of programmable molecular environments for solar-energy conversion, with particular emphasis on:
- Porous Organic Cages (POCs)
- Computational Chemistry
- Quantum Chemistry
- Molecular Dynamics
- Machine Learning
- Molecular Modeling
- Photophysical Properties
- Photoinduced Electron Transfer
- Singlet Fission
- Solar-Energy Conversion
- Computational Materials Design
- Next-Generation Solar Materials
The project aims to bridge fundamental molecular photophysics with computational materials discovery, providing opportunities for interaction with experimental collaborators.
👨🔬 Ideal Candidates
Applicants should hold an M.Sc. degree in Chemistry, Materials Science, or a related discipline.
Candidates should demonstrate:
- Strong interest in computational chemistry and molecular modeling.
- Interest in applying machine learning to molecular and materials research.
- Basic programming skills, preferably in Python.
- Interest in interdisciplinary research combining chemistry, physics, computation, and materials science.
- Good communication skills.
- Strong motivation and enthusiasm for interdisciplinary research.
- Willingness to develop advanced computational and research skills.
⭐ Preferred Skills & Experience
Strong candidates may have experience or interest in:
- Computational Chemistry
- Quantum Chemistry
- Molecular Dynamics
- Molecular Modeling
- Machine Learning
- Python Programming
- Materials Science
- Photochemistry
- Photophysics
- Electron Transfer
- Singlet Fission
- Solar-Energy Materials
- Computational Materials Discovery
Prior advanced programming experience is not mandatory, but basic programming skills, particularly Python, are preferred.
🌟 What You’ll Gain
- Opportunity to conduct cutting-edge research in computational chemistry and materials science.
- Experience designing porous organic cages for solar-energy applications.
- Hands-on experience with quantum-chemical calculations and molecular dynamics.
- Training in applying machine learning to molecular-property prediction.
- Exposure to advanced photophysical processes such as electron transfer and singlet fission.
- Opportunity to contribute to next-generation solar-energy materials research.
- Experience working in an interdisciplinary research environment.
- Opportunities to publish research in scientific journals.
- Opportunities to present research at conferences and academic events.
- Interaction with experimental research collaborators.
- Doctoral training within the research environment of INMA-CSIC and the University of Zaragoza.
🏛️ Research Environment
The position is based at the Instituto de Nanociencia y Materiales de Aragón (INMA) in Zaragoza, Spain, a joint research institute associated with CSIC and the University of Zaragoza.
The research environment brings together expertise in nanoscience, materials science, chemistry, computational modeling, and advanced molecular systems.
The project provides opportunities to connect computational research with experimental studies and contribute to interdisciplinary research focused on advanced materials for solar-energy conversion.
💼 Position Details
Position: Ph.D. Student / Doctoral Researcher
Institution: Instituto de Nanociencia y Materiales de Aragón (INMA)
Affiliations: CSIC / Universidad de Zaragoza
Research Group: Dr. Olga Stasyuk / Research Group
Location: Zaragoza, Spain
Research Field: Computational Chemistry
Research Focus: Porous Organic Cages & Solar-Energy Conversion
Research Areas: Quantum Chemistry | Molecular Dynamics | Machine Learning | Photophysics | Electron Transfer | Singlet Fission
Employment: Full-Time
Contract: Fixed-Term
Duration: Up to 4 Years
Funding: Research grants funded by MICIU/AEI and the European Social Fund (ESF)
Position Status: Pre-announcement; official announcement pending
📄 How to Apply
Interested candidates are invited to send the following materials:
- Curriculum Vitae (CV)
- A brief motivation letter
Applications and further enquiries should be directed to:
Dr. Olga Stasyuk
Email: ostasyuk@unizar.es
Additional Contact: astasyuk@unizar.es
Further information regarding the formal application procedure and how to apply will be provided once the official announcement is published.
📅 Key Dates
Application Status: Pre-announcement
Official Announcement: Pending
Contract Duration: Up to 4 Years
Position Type: Full-Time, Fixed-Term
📌 Job Details
Institution: Instituto de Nanociencia y Materiales de Aragón (INMA)
Affiliation: CSIC / Universidad de Zaragoza
Position: Ph.D. Student
Location: Zaragoza, Spain
Research Field: Computational Chemistry
Qualification: M.Sc. Degree
Eligible Backgrounds: Chemistry | Materials Science | Related Disciplines
Research Areas: Porous Organic Cages | Solar-Energy Conversion | Quantum Chemistry | Molecular Dynamics | Machine Learning | Photophysics
Key Topics: Photoinduced Electron Transfer | Singlet Fission | Molecular Property Prediction | Computational Materials Design
Preferred Skills: Basic Programming | Python | Computational Chemistry | Molecular Modeling
Employment: Full-Time
Contract: Fixed-Term
Duration: Up to 4 Years
Funding: MICIU/AEI and European Social Fund (ESF)
Application Mode: Email
Application Email: ostasyuk@unizar.es / astasyuk@unizar.es
Required Documents: CV | Brief Motivation Letter
Application Status: Pre-announcement; Official Announcement Pending
Category
PhD Position | Fully Funded PhD | Computational Chemistry | Quantum Chemistry | Molecular Dynamics | Machine Learning | Materials Science | Porous Organic Cages | Solar Energy | Photophysics | Singlet Fission | INMA-CSIC | University of Zaragoza | PhD in Spain
🏷️ Tags
#PhD #PhDPosition #FullyFundedPhD #ComputationalChemistry #QuantumChemistry #MolecularDynamics #MachineLearning #MaterialsScience #Photophysics #SolarEnergy #SingletFission #MolecularModeling
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