Title–Computational Chemist (DFT)Budget -€65,000 basic, 10% annual bonus, participation in Company ESOP, Healthcare and company pension scheme Location– South Dublin, Onsite 4 days per week.
Ingeniois delighted to be working with a company that is working with a number of leading global pharma companies, solution providers, and research institutes on implementing its technology for Crystal Structure Prediction (CSP)to drive major valueenhancements in the drug research & development process.
This client is backed by a combination of national and European funding & investment, and has received numerous awards for its innovative technology.
Responsibilities: Collaborate closely with a highly skilled team and the CTO to design, develop, and implement computational modules and algorithms that drive our innovative solutions, Be a leader in the field of crystal-structure prediction for pharmaceutical drug development, Assist in defining research objectives and carrying out original research, which supports the company's R&D and product and services programmes, Document the progress and outcomes of both R&D and product and services tasks internally, and assist in delivering technical white papers, Provide technical support for the company's engagements with customers and partners .
Qualifications: Applicants must have a Ph.
D.
(or in the process of finalising) or equivalent experience (min.
2+ years beyond undergraduate degree) in chemistry, physics, or material science.
Mandatory Requirements: You must know DFT in organic modules.
Running atomic scale material modelling of gas phase and periodic systems, especially proficiency in running Density Functional theory-based electronic structure modelling software such as VASP, Quantum Espresso, Orca, Turbomole, Gaussian, Psi4, etc.
and interpretation of their outputs.
Crystal structure prediction experience In-depth knowledge of solid-state crystallisation of molecular crystals, co-crystals, salts, hydrates/solvates, and amorphous.
Proficiency in scientific and parallel programming, preferably in Python, and experience with version control using git.
If this sounds like you, click apply now