Title–Computational Chemist (DFT)Budget -€65,000 basic, 10% annual bonus, participation in Company ESOP, Healthcare and company pension schemeLocation– 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 forCrystal 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 experienceIn-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