Internship in computational reaction chemistry

United Kingdom, Cambridge
Internship
3/11/2024
538042

YOUR ROLE

You will be part of the BIOVIA Materials Science R&D team, closely interacting with scientists, software engineers, and marketing and product management representatives. Cambridge team comprises a number of PhD scientists as well as experienced software engineers.

The project will introduce you to our main 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 reactions based on just symbolic definitions of reactants and products. 

YOUR RESPONSIBILITIES

  • Develop algorithms for autonomously simulating reaction pathways and probabilities.
  • Connect new functionality with the existing set of atomistic modeling tools (FlexTS for accurate transition state search, reaction rate calculator).
  • Automate the analysis of the outcome of FlexTS calculations.
  • Provide input into a cloud-enabled solution for a virtual twin of reaction chemistry experiments.

YOUR QUALIFICATIONS

  • 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

Diversity statement

As a game-changer in sustainable technology and innovation, Dassault Systèmes is striving to build more inclusive and diverse teams across the globe. We believe that our people are our number one asset and we want all employees to feel empowered to bring their whole selves to work every day. It is our goal that our people feel a sense of pride and a passion for belonging. As a company leading change, it’s our responsibility to foster opportunities for all people to participate in a harmonized Workforce of the Future.
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