Application Software Optimization Engineer, Computational Chemistry (79669)

Location: Austin, Texas, US

Company: Advanced Micro Devices

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What you do at AMD changes everything 

At AMD, we push the boundaries of what is possible.  We believe in changing the world for the better by driving innovation in high-performance computing, graphics, and visualization technologies – building blocks for gaming, immersive platforms, and the data center. 

Developing great technology takes more than talent: it takes amazing people who understand collaboration, respect, and who will go the “extra mile” to achieve unthinkable results.  It takes people who have the passion and desire to disrupt the status quo, push boundaries, deliver innovation, and change the world.   If you have this type of passion, we invite you to take a look at the opportunities available to come join our team.


Application Software Optimization Engineer, Computational Chemistry



Would you like to be part of a world class team enabling applications for high performance computing? AMD is searching for talented and highly motivated computational scientists/engineers to join our team of developers preparing applications for supercomputing platforms across industry, academia, and national laboratories.

This position is for a software optimization engineer specializing in computational chemistry and quantum chemistry simulation applications. The primary responsibility is optimizing widely used quantum chemistry applications for use on AMD CPU and GPU platforms. This is an exciting time to join the AMD team!


A computational scientist, physicist, or engineer with in-depth knowledge of quantum mechanics, chemistry, math, computational methods, and a track record of collaborating with others on applications and libraries widely used in computational chemistry and quantum chemistry. Must be self-motivated and possess the ability to work well within a geographically dispersed team environment.



  • Port and optimize computational quantum chemistry applications for AMD CPU and GPU systems
  • Work with performance engineers to tune key computational quantum mechanics applications and software packages for superior performance on AMD hardware
  • Provide domain specific knowledge to other groups at AMD
  • Represent AMD to customers and other third parties
  • Engage with AMD product groups to drive resolution of application and customer issues
  • Develop and present training materials to internal audiences, at customer venues, and at industry conferences



  • In depth knowledge of computational quantum chemistry concepts such as Schrödinger’s equation, ab initio waveform methods and density functional theory
  • Broad experience creating, adapting, and running models with widely used computational quantum chemistry applications.
  • Familiarity with installation and setup of various quantum chemistry applications.
  • Extensive experience with modern C++
  • Experience in implementing and optimizing parallel methods on GPU accelerators in distributed memory systems with MPI, CUDA, HIP, OpenMP, etc.
  • Experience with analysis and solution of numerical problems typically found in scientific computing applications
  • Expertise with build system tools such as Make, CMake, autoconf, and autotools
  • Advanced knowledge of software development practices including debug, test, revision control, documentation, and bug tracking
  • Strong performance analysis skills for both CPU and GPU
  • Strong team development skills including demonstrated expertise with git and Jira
  • Experience with machine learning and data analytics techniques



  • Masters or PhD in Computational Chemistry, Physics, related subjects, or equivalent experience with 3+ years of relevant industry experience preferred

Austin, TX; Santa Clara, CA; 



Requisition Number: 79669 
Country: United States State: Texas City: Austin 
Job Function: Design


AMD does not accept unsolicited resumes from headhunters, recruitment agencies or fee based recruitment services. AMD and its subsidiaries are equal opportunity employers. We consider candidates regardless of age, ancestry, color, marital status, medical condition, mental or physical disability, national origin, race, religion, political and/or third party affiliation, sex, pregnancy, sexual orientation, gender identity, military or veteran status. Please click here for more information.

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