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PhD positions in Exascale Computational Chemistr ... (No replies)
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We are looking for several talented and motivated PhD students to join the Australian arm of the General Atomic and Molecular Electronic Structure System (GAMESS) Exascale Computing Project (ECP). The PhD will be based at the Australian National University in Canberra and join the Barca group (www.gbarca.com), focussing on the development of novel exascale computing algorithms for application in computational chemistry and/or on the development of more general high-performance computing algorithms for application in computational science.
The ECP is a collaborative effort of the US Department of Energy Office of Science and National Nuclear Security Administration organization. The ECP was created to accelerate the delivery of capable exascale computing systems to deliver approximately five times more performance than the most powerful supercomputer in use today, the Summit system at the Oak Ridge National Lab. One of the main ECP goals is to deliver breakthrough modelling and simulation solutions, providing insights and answers to the most critical US challenges in scientific discovery, energy assurance, economic competitiveness, and national security.
The PhD students will join the Barca group to conduct leading-edge research on the development and optimization of computational chemistry, physics and mathematics algorithms for the most powerful supercomputers in the word. This will involve collaborations with the Iowa State University/Ames Lab, the Oak Ridge Lab and the Argonne Lab in United States, as well as with vendors such as AMD, NVIDIA and Intel.
This is an unparalleled opportunity for a top graduate student to engage with world-leading research in high-performance computing and computational chemistry.
All projects involve the development of novel algorithms in high-performance computing, with applications in various computational application areas, such as computational chemistry, physics and mathematics.
The project themes are:
Development of new methods and algorithms in computational chemistry for exascale supercomputers (https://www.gbarca.com/research-projects)
Development of hardware-synergistic algorithm in computational science (https://www.gbarca.com/research-projects)
Development of hardware and data-structure aware software in computational science and machine learning (https://www.gbarca.com/research-projects)
Using transactional memory for computational science applications (to be advertised soon, https://www.gbarca.com/research-projects)
Students should have a first-class honours degree (or equivalent) in a relevant professional area, that is Computer Science, Computational Chemistry, Computational Physics, Computational Mathematics or related disciplines.
Scholarships will be awarded at the AGRPT rate of AUD 28,092 per annum (tax free) for 3 years.
Top-up scholarships of up to 10,000 AUD per annum are available for excellent candidates, based on eligibility and academic merit.
What will be your duties:
Conduct leading-edge research in high-performance computing with a view to publishing original and innovative results in internationally refereed journals, present research at academic seminar and international conferences, and collaborate with other researchers at a national and international level.
Develop high-performance computational science algorithms for distributed supercomputing systems featuring thousands of accelerators, with a focus on GPU-based platforms.
Develop and optimize implementations of the above-mentioned algorithms using a range of high-performance computing programming languages, with a focus on C, C++, CUDA, MPI, OpenMP and OpenACC.
Provide regular written and verbal reports as directed by the supervisor.
Produce a thesis that fulfils the Australian National University requirements for the award of PhD.
Maintain research confidentiality and conform to all requirements for the protection of intellectual property.
Be a positive, willing, contributing and adaptable member of the team at all times.
What we require from you:
Honours degree qualification (Honours Class 1) or equivalent in a relevant professional area, that is Computer Science, Computational Chemistry, Computational Physics, Computational Mathematics or related disciplines.
Good knowledge and experience in C/C++ programming.
Good knowledge in applied mathematics, algorithms and numerical optimization methods.
Knowledge of version control tools such as git or svn.
Knowledge of UNIX operating system and bash scripting.
Excellent problem-solving skills.
Excellent written and oral communication skills (English).
Ability to adapt and respond to changes quickly.
Being very driven, self-motivated and an independent thinker, with enthusiasm to achieve the research goals.
Programming skills in OpenMP, MPI and CUDA.
Good knowledge and/or experience in Quantum Chemistry and related computational methods.
If you are interested and meet all the requirements please visit the website https://www.gbarca.com/openings for learning how to apply, and email Dr Barca at [email protected] for expressing your interest.