Post-Doctoral position for Computational Molecular Sciences and Scientific Software Development

ppOrganisation/Company Istituto Italiano di Tecnologia Research Field Computer science Researcher Profile Recognised Researcher (R2) Application Deadline 30 Sep 2026 - 00:00 (UTC) Country Italy Type of Contract Other Job Status Other Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No /ph3Offer Description /h3pCommitment contract: up to 2 years, collaboration contract /ppbStep into a world of endless possibilities, together let’s leave something for the future! /b /ppAt IIT, we are committed to advancing human-centered Science and Technology to address the most urgent societal challenges of our era. We foster excellence in both fundamental and applied research, spanning fields such as neuroscience and cognition, humanoid technologies and robotics, artificial intelligence, nanotechnology, and material sciences, offering a truly interdisciplinary scientific experience. Our approach integrates cutting-edge tools and technology, empowering researchers to push the limits of knowledge and innovation. With us, your curiosity will know no bounds. /ppWe are dedicated to providing equal employment opportunities and fostering diversity in all its forms, creating an inclusive environment. We value the unique experiences, knowledge, backgrounds, cultures, and perspectives of our people. By embracing diversity, we believe science can achieve its fullest potential. /ppbTHE ROLE /b /ppYou will be working in a multicultural and multi-disciplinary group, where junior and senior scientists collaborate, each with their expertise, to carry out a scientific activity with a shared research goal. /ppThe Computational mOdelling of NanosCalE and bioPhysical sysTems – (CONCEPT) Research Unit is coordinated by Dr. Walter Rocchia, who has extensive experience in Biophysical Modelling and Computational Sciences. The research focuses on development in the fields of molecular modeling and simulation of systems at the nanoscale, with relevant applications to health and biomedical sciences, especially protein design. /ppWithin the research team, your main responsibilities will be: /pullibDesign, development, and implementation of novel computational methods /b at the interface between computational biophysics and machine learning, with a strong focus on scientific programming and algorithm development; /lilibDevelopment and implementation of enhanced sampling techniques /b to accelerate molecular dynamics simulations of biologically relevant processes, including integration into existing simulation frameworks and custom software tools; /lilibDevelopment, optimization, and application of computational methods /b for the description, characterization, and prediction of protein–protein and protein–nucleic acid interactions, with emphasis on robust, efficient, and reusable code; /lilibDevelopment and application of coarse-grained modeling approaches /b for the mesoscale description of biomolecular systems, including the creation and maintenance of computational workflows and simulation software. /li /ulpbESSENTIAL REQUIREMENTS /b /pulliA PhD in Physics, Engineering, Computational Chemistry, Biophysics, or a closely related discipline; /lilibStrong programming skills /b in languages such as Python, C/C++, or similar, with proven experience in scientific software development, code optimization, and version control (e.g., Git); /liliDemonstrated experience with high-performance computing (HPC) environments, e.g. queues handling; /liliDocumented experience in balgorithm development /band bbiomolecular simulations /b (e.g., molecular dynamics, enhanced sampling methods); /liliA strong and relevant publication record in peer-reviewed scientific journals; /liliExcellent command of spoken and written English. /li /ulpbADDITIONAL SKILLS /b /pulliKnowledge of machine learning methods and frameworks (e.g., PyTorch, TensorFlow, scikit-learn) and their application to molecular sciences; /liliExperience applying computational methods to biomedical and health-related challenges, including drug discovery or molecular diagnostics; /liliFamiliarity with pharmaceutical and industrial applications of computational modeling and simulation; /liliKnowledge of geometric processing, structural bioinformatics, or shape-based analysis of biomolecules; /liliStrong problem-solving attitude, with creativity and scientific curiosity; /liliAbility to work effectively in a challenging, international, and interdisciplinary environment; /liliCapacity to work both independently and collaboratively within diverse research teams; /liliExcellent analytical reasoning skills and a demonstrated growth mindset toward learning new methods and technologies. /li /ulpbCOMPENSATION PACKAGE /b /pulliA yearly gross salary ranging between 32K and 36K euro /liliPrivate health care coverage depending on your role and contract /liliCandidates from abroad or Italian citizens who have carried scientific research activity permanently abroad and meet specific requirements, may be entitled to a deduction from taxable income of up to 90% from 6 to 13 years. /li /ul /p #J-18808-Ljbffr