Computational synthesis and characterization of metal oxides Ph.D student (m/f/d) - Full-time / part-time
Computational synthesis and characterization of metal oxides Ph.D student (m/f/d) - Full-time / part-time
Posted on :
11-07-2025
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Job Description
We are pleased to offer a PhD opportunity in the field of computational
materials science with a focus on pioneering research in metal oxide
growth and dynamics by hybrid molecular beam epitaxy (H-MBE).
These materials are vital across multiple industrial sectors including catalysis
electronics energy storage and optical technologies due to their versatile
and valuable properties. Mastery over these properties is crucial for advancing
performance and functionality in these applications. H-MBE presents significant
benefits over traditional MBE by enabling the high-quality growth of metal
oxides with exceptional control over both composition and structure.
Unlike conventional MBE which typically involves simpler precursor systems
H-MBE incorporates additional complexities such as organic precursors and
tailored growth conditions designed to optimize material properties.
Understanding these complexities requires a deep dive into the atomistic
mechanisms at play where computational models are indispensable for
providing insights that are difficult to capture experimentally.
materials science with a focus on pioneering research in metal oxide
growth and dynamics by hybrid molecular beam epitaxy (H-MBE).
These materials are vital across multiple industrial sectors including catalysis
electronics energy storage and optical technologies due to their versatile
and valuable properties. Mastery over these properties is crucial for advancing
performance and functionality in these applications. H-MBE presents significant
benefits over traditional MBE by enabling the high-quality growth of metal
oxides with exceptional control over both composition and structure.
Unlike conventional MBE which typically involves simpler precursor systems
H-MBE incorporates additional complexities such as organic precursors and
tailored growth conditions designed to optimize material properties.
Understanding these complexities requires a deep dive into the atomistic
mechanisms at play where computational models are indispensable for
providing insights that are difficult to capture experimentally.
Our aim with this project is to advance our understanding of H-MBE and its
application to metal oxides through sophisticated computational modeling
techniques. The project goals are:
- Develop and Apply Computational Models: Utilize existing Density
- Functional Theory (DFT) methods and create novel ReaxFF force fields
to identify optimal precursor and uncover new chemistries aiming to
improve the quality of metal oxides fabricated via H-MBE. - Model Nucleation and Growth Dynamics: Investigate the nucleation and
growth dynamics of metal oxides to establish detailed links between
synthesis parameters and material morphologies. - Optimize H-MBE Grown Material Properties: Utilize computational insights
to fine-tune the composition and structure of metal oxides boosting their
performance in diverse applications.
We are looking for a highly motivated PhD student to join our dynamic research
team. The successful candidate will collaborate closely with experts in Physics
Materials Science Chemistry and Mathematics to develop and refine tools and
models advancing H-MBE technology and material science. If you are passionate
about computational materials science and eager to drive groundbreaking research
we invite you to apply for this exciting opportunity.
Join our vibrant research team and seize the opportunity to develop your skills
and become proficient with:
and become proficient with:
- DFT Calculations: Conduct periodic and non-periodic Density
Functional Theory (DFT) calculations to explore the thermodynamic
and kinetic properties of advanced hybrid materials. - Development of Novel Computational Tools: Develop and validate
Reactive Force Field (ReaxFF) models enhancing their accuracy and
application in computational materials science. - Large scale Atomistic Simulations: Implement ReaxFF force fields in
large-scale atomistic simulations to predict material behavior under
various conditions. - Data Management and Collaboration: Analyze simulation results to
gain insights for experimental research. Collaborate closely with PDI
experimentalists to validate and complement computational findings
integrating data-driven approaches to enhance the accuracy and depth
of your analysis. - Scientific Communication: Present your research at conferences and
contribute to scientific publications advancing knowledge in the field. - Team Participation: Engage actively in group meetings and discussions
fostering a collaborative and productive research environment.
Bachelors and Masters degrees in materials science physics or a related
field.
- Preferential background in computational materials science with experience
in Density Functional Theory (DFT) and/or molecular dynamics simulations - Background in Programming skill using such as Python MATLAB or C
and familiarity with Linux/Unix environments and high-performance
computing (HPC) systems is advantageous - Effective communication skills both written and verbal in english are
essential for presenting research findings and collaborating with team
members. - A genuine enthusiasm for contributing to cutting-edge research in the field
of materials science. - A self-motivated personality with a strong curiosity for working in a
multi-disciplinary team environment on scientifically challenging problems.
Team-oriented with the ability to collaborate effectively with others.
This position is available immediately and is limited to a 3-year period initially
with the perspective of a 1-year extension.
Salary and benefits are according to the Treaty for German public service
(TVD Bund) to a level of E13 with 75% working time (typically
approximately 42000 EUR annual basic salary plus a potential 2000 EUR
annual bonus).
- Unique theory/simulation capabilities
- Modern laboratories with a wide range of experimental techniques
- Supportive environment with experts for various scientific sub-fields
- International and culturally diverse community
- Location in the heart of Berlin with excellent public transport connections
- Subsidized travel ticket
- Possibility to participate in professional development programs
PDI is a globally recognized research institution specializing in the development of
novel functional materials through molecular beam epitaxy. Our work focuses on
both the fundamental physics and practical applications of functional hetero- and
nanostructures superlattices and custom-designed artificial materials. We place a
strong emphasis on exploring and leveraging their electronic and optical properties
for quantum technology applications. Additionally we offer unique capabilities in
simulating the growth and characterization of novel materials using first-principles
and reactive potential approaches.
novel functional materials through molecular beam epitaxy. Our work focuses on
both the fundamental physics and practical applications of functional hetero- and
nanostructures superlattices and custom-designed artificial materials. We place a
strong emphasis on exploring and leveraging their electronic and optical properties
for quantum technology applications. Additionally we offer unique capabilities in
simulating the growth and characterization of novel materials using first-principles
and reactive potential approaches.
With approximately 100 employees and more than 15 nationalities PDI is committed
to building a talented inclusive and culturally diverse workforce. We understand that
our shared future is guided by basic principles of fairness and mutual respect.
Among equally qualified applicants preference will be given to candidates
from marginalized groups. As an equal opportunity and family-friendly
employer we offer highly flexible employment conditions such as flexible
working hours parental leave and home office and we strive to create a
family- and life-conscious working environment.
to building a talented inclusive and culturally diverse workforce. We understand that
our shared future is guided by basic principles of fairness and mutual respect.
Among equally qualified applicants preference will be given to candidates
from marginalized groups. As an equal opportunity and family-friendly
employer we offer highly flexible employment conditions such as flexible
working hours parental leave and home office and we strive to create a
family- and life-conscious working environment.
- Your documents should include
- a dedicated cover letter
- CV
- diploma(s) and transcript(s)
- publication list (if present)
- contact information of two referencesApplication deadline: 10. August 2025. For more information about the project please contact Prof. Nadire Nayir
Required Experience:
Unclear Seniority
Employment Type
Full-Time
Key Skills
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