🚀 Internship
BIOVIA Intern on Automatic Reaction Rate Search
Dassault Systèmes
7d ago
Cambridge
Description
Dassault Systèmes, the 3DEXPERIENCE company, provides businesses and people with virtual universes to imagine sustainable innovations.
The industry-leading BIOVIA portfolio integrates the diversity of science, experimental processes and information requirements, end-to-end, across research, development, QA/QC and manufacturing. Capabilities include Scientific Informatics, Molecular Modeling/Simulation, Data Science, Laboratory Informatics, Formulation Design, BioPharma Quality & Compliance and Manufacturing Analytics.
BIOVIA is committed to enhancing and speeding innovation, increasing productivity, improving quality and compliance, reducing costs and accelerating product development for customers in multiple industries. Shape your career with 3DS!
Dassault Systèmes UK Ltd is looking for a highly motivated intern to join BIOVIA scientific software development team in Cambridge. Cambridge office offers a stimulating environment with rich social life and opportunities for meeting people of diverse professional and cultural backgrounds.
Area of Responsibilities
Responsibilities
- You will be part of the BIOVIA Materials Science R&D team, closely interacting with scientists, software engineers, and marketing and product management representatives. The Cambridge team comprises a number of PhD scientists and experienced software engineers. The project will introduce you to state of the art commercial modeling tools such as Materials Studio and Materials Studio Collection for Pipeline Pilot. Additional scientific input can be provided via academic contacts that BIOVIA has with the leading universities in the UK.
- The purpose of the project is to extend workflows offered to BIOVIA customers in the field of chemical engineering. You will combine existing BIOVIA tools for atomistic simulation of chemical reactions and develop an automated process that characterizes chemical reactions based on just symbolic definitions of reactants and products.
The challenge ahead
- Connect tools for describing 2D sketches of reactions with fully 3D quantum chemical simulations and develop the missing links
- Develop workflow to automatically calculate and analyze the reaction barriers, using an existing set of atomistic modeling tools
- Validate the workflow for reactions for a range of applications from the chemical and pharmaceutical industries
- Optionally: prepare a publication for peer review
Requirements
- A degree in chemistry, materials science, or physics
- Good understanding of reaction chemistry
- Experience in modeling and simulation in the context of computational chemistry
- Working knowledge of scripting languages (Python, Perl, or similar)
- Familiarity with high-level programming languages (Fortran, C++, or similar)
- Attention to detail, a good understanding of software quality requirements
- Strong communication and presentation skills
- Demonstrated a curious, autonomous approach
- Highly organized with critical attention to detail
- Ability to work both independently and within a collaborative team structure
- Positive, self-motivated individual with a high level of interest and passion, a willingness to learn