Seeking Student for Fall 2020 Research Project in GPU Programming for HPC Simulations of Quantum Systems!

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Seeking Student for Fall 2020 Research Project Position with the U-M Computational Quantum Many-Body Physics Group

The U-M Computational Quantum Many-Body Physics Group, led by Professor Emanuel Gull,  is seeking a master’s student to contribute to its work on a research project in graphics processing unit (GPU) programming for high-performance computing (HPC) simulations of quantum systems. Qualified undergraduate students may also be considered for this position. Don’t miss out on this great opportunity!

Position Details: 

  • Knowledge of physics and quantum mechanics is not required for this position
  • The estimated workload for this position is 10-20 hours per week
  • Tentative start date: Fall 2020 term on the University of Michigan’s Ann Arbor campus

Required Qualifications:

  • Experience working with CUDA parallel computing platform and related techniques
  • Familiarity with HPC, scaling, and optimization strategies


  • Compensation range for this position is $20-$25, commensurate with experience and qualifications

Apply Today!

Please send a brief (no longer than 2-page) CV or resume to Professor Emanuel Gull at with subject, “Fall 2020 Project Research Assistant Position”.

Graduate Student Lab Positions Available at Concordia University (Canada)

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Looking for Grad Students interested in Physics-Based Design of Therapeutics!

There are 1-3 openings for fall or winter 2020/2021 in Professor Ré Mansbach’s lab. Professor Mansbach is starting the lab in the Physics Department at Concordia University ( in Montreal, Quebec, CA. There will be an associated tuition waiver and stipend for highly qualified/talented students.

Desired qualifications:  Looking for highly motivated graduate student candidates interested in theoretical and computational biophysics and deep learning.  Physics or Biophysics BA or BS is preferred but CS, biomedical engineering or related fields are welcome to apply. Experience with coding will be valuable, particularly in Python, and prior experience with molecular dynamics simulations will also be useful. 

Overview of Scientific Goals: Proteins are the building blocks of living things, miniature motors that make all of your cells function. Proteins embedded in cell membranes filter out toxic materials or uptake necessary nutrients. Meanwhile, malfunctioning proteins are responsible for a slew of disorders, including Alzheimer’s, type II diabetes, and Parkinson’s. Professor Mansbach want to understand and design small molecules and peptides for therapeutic applications such as finding new analgesics for treatment of chronic pain disorders, or correcting dysregulation of proteins that lead to Alzheimer’s. 

Potential Projects:

  • Drug Design for Antibiotics. Exploring the use of a fragment-based approach for novel antibiotic hybrid design through generative deep learning, in which a library of fragments relevant to antibiotic applications will be used as a basis for a generative model with a particular emphasis on interpretability as well as candidate generation. 
  • Antimicrobial Peptide (AMP) Design. Designing a deep learning model informed by multiscale molecular dynamics, wherein generative learning is used to iteratively create potential AMP candidates that are assessed on multiple scales using molecular dynamics.
  • Theory of disulfide bonds for toxin-based therapeutics. Using polymer theory or molecular dynamics, exploring ways to bring together constrained polymer theories with bond-breaking force field models to map out the free energy landscapes of disulfide-rich toxins for treatment of pain.

Professor Mansbach is also happy to work with students on their own ideas—as long as they fall within the broad scope of my work—and/or to tailor projects to suit specific strengths and interests.

This lab would like to cultivate an inclusive, diverse and collaborative lab environment. Members of traditionally underrepresented groups in STEM are strongly encouraged to apply.


Please contact to apply!


Note for students unfamiliar with the Canadian graduate school system: generally, you need a MSc to advance to the PhD, although fast-tracking is possible if we can make a strong case for it. Professor Mansbach is happy to take someone for a MSc and  commit to sponsoring them on through the PhD; Professor Mansbach also happy to take students who solely want a MSc.

2020 Argonne Training Program on Extreme-Scale Computing (ATPESC)

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2020 Argonne Training Program on Extreme-Scale Computing (ATPESC)

Application deadline: March 2, 2020.

There are no fees to participate in ATPESC. Domestic airfare, meals, and lodging are also provided.

Apply for an opportunity to learn the tools and techniques needed to carry out scientific computing research on the world’s most powerful supercomputers. ATPESC participants will be granted access to DOE’s leadership-class systems at the ALCF, OLCF, and NERSC. This year’s program will take place July 26–August 7, 2020.


Renowned scientists and leading HPC experts will serve as lecturers and guide the hands-on sessions. The core curriculum will cover:

  • Hardware architectures
  • Programming models and languages
  • Data-intensive computing and I/O
  • Visualization and data analysis
  • Numerical algorithms and software for extreme-scale science
  • Performance tools and debuggers
  • Software productivity
  • Machine learning and deep learning for science


Doctoral students, postdocs, and computational scientists interested in attending ATPESC can review eligibility and application details on the website.

Senior Scientist – Artificial Intelligence for R&D position available with the BASF Corporation

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Senior Scientist – Artificial Intelligence for R&D with BASF

Location: Wyandotte, MI (preferred) or Tarrytown, NY

BASF is seeking a professional like you to join the Data Science community and shape the future of digitalization in Research and Development.  An Artificial Intelligence System (AI) observes its environment and takes actions that maximize its chance of success at a given goal. As AI expert, you will create such systems that learn and decide for multiple application areas in materials and systems research as well as process and quality control.

BASF will look to you to have demonstrated that you can build AI systems based on machine learning technology by integrating advanced algorithms with interfaces for sensors and actors.  In contrast to an isolated developer, you appreciate and understand experts from all areas of Data Science, including Automation & Information Technology, Data Analytics, and Data Management.  This is an excellent opportunity for you to demonstrate your experience in multiple projects using different IT environments (e.g. Lab Automation systems like LabView, Big Data systems like Hadoop; Machine Learning frameworks like scikit-learn; and programming languages like R or Python), your thorough understanding of data driven workflows, and your knowledge of statistical methods and their industrial application.  You will also share your agility, creativity, and entrepreneurial thinking with the team while feeling comfortable in a diverse, interdisciplinary, and challenging environment.  Your superior consultancy mindset with a high degree of flexibility and an ability to learn and adapt to new applications quickly will also be key to your success in this role.


  • BASF recognizes institutions of Higher Education which are accredited by the Council for Higher Education Accreditation or equivalent
  •  Leveraging your PhD in science or engineering with a focus on quantitative analytics (or equivalent qualification) and your experience in the field of Machine Learning and Artificial Intelligence – so much so that you are recognized as an expert, you will evaluate new approaches and explore new applications for AI.
  • Your experience in the Chemical (or related) industry and your excellent project management and collaboration skills will be essential as you initiate, execute, and lead AI projects in collaboration with research and business units in diverse high performing teams.
  • Demonstrating your international and industrial working experience, including your proven track record in working within multinational teams, filling the innovation pipeline, and executing projects with high business impact, you will define and develop novel AI solutions and liaise with academic experts and commercial providers.
  • Your excellent communication and interpersonal skills, along with your proven track record of relevant publications in peer-reviewed journals, will serve you well as you communicate and disseminate AI to a broad community of scientists and managers.

Visit the job positing for more information or to apply for the position.

Computational Solid Mechanics and Materials Modeling Postdoc position available at Los Alamos National Laboratory

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Computational Solid Mechanics and Materials Modeling Postdoc position available at Los Alamos National Laboratory

The Fluid Dynamics and Solid Mechanics Group (T-3) is seeking outstanding candidates for multiple post-doctoral research opportunities in the areas of solid mechanics, materials modeling, and numerical methods development. The prospective post-doctoral research associates will take lead roles in the development of (i) models of inelastic deformation and/or failure in solid materials, and (ii) computational techniques for the effective representation of such behaviors.

Strong background and demonstrated research experience in theoretical modeling and numerical simulation of large-deformation problems involving metallic, polymeric, and/or organic crystal systems.  Strong interest and expertise in the mechanics and physics of plasticity and damage processes, and models for the representation of these behaviors.  Demonstrated experience with computational methods for the solution of initial/boundary value problems and/or implementation of new material models. Excellent oral and written communication skills, the ability to work independently and as an integral part of a team conducting theoretical/computational and experimental work, and the ability to interact effectively with other members of such a diverse team of specialists.

Desired Skills: Expertise in one or more of the following areas is highly desirable.

  • Classical and/or single-crystal plasticity models,
  • Poly-crystal plasticity with homogenization or full-field (FEM or spectral) methods,
  • Microstructure evolution processes,
  • Damage and failure models for ductile and/or brittle materials,
  • Phase field models of microstructural evolution or damage/failure processes,
  • Polymer strength/damage models,
  • Nonlocal/generalized continuum mechanics and constitutive modeling,
  • Coupled multi-physics problems,
  • Concurrent multiscale modeling techniques,
  • Data-driven / machine-learning approaches,
  • Algorithm and code development for massively parallel and emerging architectures.

Education: A doctoral degree in engineering, materials science, scientific computing, or a related field, completed within the last five years or soon to be completed.

Additional Details: Position does not require a security clearance.  Selected candidates will be subject to drug testing and other pre-employment background checks.


To apply for this position or to learn more about it, please visit the Los Alamos National Laboratory job posting here.

Call for applications: Argonne Training Program on Extreme-Scale Computing

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Argonne Training Program on Extreme-Scale Computing (ATPESC)

Apply now for an opportunity to learn the tools and techniques needed to carry out scientific computing research on the world’s most powerful supercomputers. ATPESC participants will be granted access to DOE’s leadership-class systems at the ALCF, OLCF, and NERSC.

Who: Doctoral students, postdocs, and computational scientists
What: Intensive two-week training program
When: The annual ATPESC is set to take place July 26–August 7, 2020.

The call for applications is now open through March 2, 2020.
Apply now!


ATPESC provides advanced training to 70 participants.  Qualified applicants must have:

  • Substantial experience in MPI and/or OpenMP programming
  • Experience using at least one HPC system for a reasonably complex application
  • Plans to conduct computational science and engineering (CSE) research on large-scale computers

Anyone who has attended ATPESC in a previous year is not eligible to apply.

Ability to access all supercomputing resources used in this training program is mandatory for participation.  For ATPESC 2020, the following restrictions apply to foreign nationals: 
  1. Foreign nationals from countries that appear on a restricted foreign country listing in section 15 CFR 740.7 License Exceptions for Computers (namely, Cuba, Iran, North Korea, Sudan, and Syria) require a very lengthy approval process for access to DOE supercomputers, which will not complete in time for ATPESC 2020.  Therefore, citizens of these countries are not eligible to apply for participation in ATPESC 2020.  
  2. Foreign nationals from countries other than those listed above will need a valid passport, visa, and supporting documents with an expiration date beyond the end of the training program (August 7, 2020).  Selected applicants will be provided a letter of invitation for visa purposes if needed.
  3. Depending on the country of citizenship, the process for approval of accounts can take anywhere from weeks to months, and we cannot guarantee successful approval.  Selected applicants whose accounts have not been approved by July 2, 2020, will not be able to participate in ATPESC 2020. 

Applicants are expected to be proficient in English in order to take full advantage of this training program.  Results from TOEFL/IELTS/PTE examinations are not required.

Applicants must commit to attend the entire program.  If they fail to do so, they will be responsible for their travel, lodging and meal expenses.

Application Instructions

Applications must include (in this order):

1. Statement of Purpose (SOP)

This document should include your purpose for attending the training program, a description of your computing experience, and your current/future CSE research plans.  This part of the application should be no longer than two pages.  Please include your First and Last Name, Job Title, and Institution at the top of the document.

  • Note: the curriculum of the training program is geared for participants with substantial MPI and/or OpenMP programming experience who have used an HPC system for a reasonably complex application and have conducted or are preparing to conduct CSE research on large-scale computers.  Please be prepared to describe in detail your previous experience with HPC systems (e.g., size of simulations, kind of systems, experience as user and/or developer, software and solvers used, etc.) and your future CSE plans on leadership-class supercomputers.

2. Curriculum Vitae (CV)

CVs must provide all science and technology specialties, all work positions with no gaps in time, and current/accurate names of all academic institutions attended.

3. Letter of recommendation (LOR)

One letter of recommendation from an advisor or supervisor.

  • Note: if your advisor or supervisor wants to make a confidential recommendation, they should send it directly to before the submission deadline.  In that case, ATPESC support staff will attach it to your application.  Please note that you are still responsible for ensuring final submission by your advisor or supervisor.  Incomplete applications will not be reviewed.

Please do not include in your application any articles, additional letters, or other documents that are not among the three mentioned above.

When you have compiled all the documents listed above:

  1. Please create one PDF file with all items: SOP, CV, and LOR (if not confidential).
  2. Log in to EasyChair to apply for ATPESC 2020

On the EasyChair application form:

Please use standard capitalization (i.e., “John Smith”; not “JOHN SMITH” nor “john smith”) and use your full legal name as it appears on your government-issued photo ID (e.g., passport).

    • For the Author Information, complete the Author 1 fields with your information and leave the other author fields blank. Please enter legal first and last name as it appears on your government-issued documents.
    • For the Title, use your legal first and last name followed by “Application” EXAMPLE: John Smith Application.
    • For the Abstract, enter a short paragraph summarizing your purpose for attending and the name of the advisor or supervisor that will be submitting your letter of recommendation (if not included in your submission PDF file).
  • For the Keywords, enter your Country of Citizenship, CSE Field (from the list linked here) and Job Title (Ph.D. student, Postdoc, Scientist, Researcher, Engineer, etc).
  • Upload your PDF file.
  • Click on the submit button only once.

Other important dates:

  • March 2, 2020 – Deadline to submit applications
  • April 13, 2020 – Notification of acceptance
  • April 24, 2020 – Registration deadline for accepted applicants
  • May 1, 2020 – Registration deadline for wait-listed applicants


If you have any questions, please contact ATPESC staff.

For more information, please visit the website.

Software/Data Engineer position available at The University of Chicago

By | SC2 jobs

Software/Data Engineer position available at The University of Chicago

Location: Hyde Park Campus


Performs and oversees a variety of activities relating to software support and/or development. Oversees technical development projects and the implementation of applications and/or websites. Provides analysis, design, development, debugging, and modification of computer code for applications, beta general releases, and production support. Develops and builds web pages, applications and user interfaces using a variety of software applications, techniques, and tools. New development, break fixes, maintenance, operational support of code and application ecosystem currently in production. Includes overall application administration and integration management.

P2: Requires knowledge and experience in own discipline; still acquiring higher-level knowledge and skills. Builds knowledge of the organization, processes and customers. Solves a range of straightforward problems. Analyzes possible solutions using standard procedures. Receives a moderate level of guidance and direction.

The job performs a variety of activities relating to software support and/or development. Provides analysis, design, development, debugging, and modification of computer code for end user applications, beta general releases, web pages, and production support. Troubleshoots problems using existing procedures to find a possible solution.1) Investigates, analyzes and resolves day-to-day technical problems using standard procedures., 2) Works with stakeholders to gather and analyze requirements for developmental programs. Receives a moderate level of guidance to design applications to meet University and business requirements., 3) Performs code testing on components and works to ensure that appropriate implementation standards are met. Evaluates design alternatives for development cost and solutions using various methods., 4) Supports and maintains existing applications. Works with web developers and responds to requests from users., 5) Performs other related work as needed.

Unit-specific Responsibilities

The following responsibilities represent Maintain and Develop Software and Data Infrastructure of the work performed

1) Plugins for community codes and scientific workflows
2) Database storage, query efficiency, and scalability
3) REST APIs and GUI front-ends
4) Communicate with users for support, feedback, and strategic development
5) Software testing units
6) Software deployment

Unit-preferred Competencies

1) Excellent problem-solving skills
2) Ability to take initiative, organize and complete projects with minimal supervision
3) Ability to work independently in an organized manner prioritizing the work of multiple projects
4) Ability to work collegially and as part of a team
5) Ability to manage a large volume of work often restricted by deadlines
6) Ability to use appropriate resources to resolve an issue

Minimum requirements include a college or university degree in related field.
Minimum requirements include knowledge and skills developed through 2-5 years of work experience in a related job discipline.

Preferred Qualifications

1) Master’s degree or PhD in Science or Engineering or related field

1) Research/scientific experience
2) Strong technical skills
3) Previous programming with Python3
4) Knowledge of C++ and/or FORTRAN a plus
5)  Experience with containers (Docker, Singularity etc.)
6) Experience in managing large codes/projects in a team (version control systems, issue trackers, unit test, continuous integration)
7) Knowledge of software design (design patterns, agile development, etc.)
8) Web (HTML5, JavaScript, AJAX, jQuery) and app design
9) Scientific background (e.g. physical or engineering sciences)

Technical Knowledge/Skills

1) Experience with molecular dynamics simulations and/or electronic structure calculations a plus

Required Documents
1) Cover Letter

2) Resume/CV

3) Reference Contact Information (3)

NOTE: When applying, all required documents MUST be uploaded under the Resume/CV section of the application

To apply, click here.

Software Scientist position available at Argonne National Laboratory

By | SC2 jobs

Software Scientist position available at Argonne National Laboratory

Location: Lemont, IL

The Midwest Integrated Center for Computational Materials (MICCoM), a DOE-BES Computational Materials Science program located at Argonne National Laboratory,  is looking for two software scientists to join the development team.

This position is sponsored by the U.S. Department of Energy within the context of a broad project aimed at enabling exascale calculations of materials properties. The software scientists will primarily work with a team of 10+ PhDs/postdocs contributing to the development of codes currently supported by MICCoM (

Excellent candidates are sought with experience in the development of complex scientific software architectures to support the development and deployment of MICCoM codes and of analysis codes for advanced sampling, molecular dynamics and electronic structure calculations.

The appointment will initially be a term appointment as junior staff scientist that may be renewed for up to three years. The salary is competitive and commensurate with experience. The position may lead to subsequent employment in a software scientist role at Argonne National Laboratory, depending on performance and mutual interest.

Major duties and responsibilities:

  • Develop, test, deploy and maintain core functionalities
  • Code optimization for high performance architectures
  • Communicate with users for support, feedback, and strategic development
  • Develop plugins for code interoperability
  • Facilitate the creation of scientific workflows
  • Remote resources management (supercomputers, servers, and storage)
  • Debug/profile/optimize software
  • Development of concise material for workshops and summer schools
  • Improvements to the internal test suite

Skills and experience:

  • Proficient in C++ , Fortran, Python, Cuda
  • Experience in algorithm optimization and parallel programming (MPI, OpenMP)
  • Managing large codes/projects in a team (including version control systems, issue trackers, unit test, continuous integration)
  • Knowledge of software design, debugging/profiling tools
  • Excellent communication skills
  • Ability to work in a team

A scientific background in physical, chemical-physical or engineering sciences, and an expertise in extensive application of advanced sampling, molecular dynamics and/or in electronic structure codes are required; basic knowledge of the internal functioning of MICCoM codes would be an advantage but is not required.

Typical candidates will be independent and motivated individuals with MSc or PhD in Materials Science, Computer Science, Physics, Chemistry or Chemical Engineering or comparable skills and experience.

As an equal employment opportunity and affirmative action employer, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne encourages minorities, women, veterans and individuals with disabilities to apply for employment. Argonne considers all qualified applicants for employment without regard to age, ancestry, citizenship status, color, disability, gender, gender identity, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.

Argonne employees, and certain guest researchers and contractors, are subject to particular restrictions related to participation in Foreign Government Talent Recruitment Programs, as defined and detailed in United States Department of Energy Order 486.1. You will be asked to disclose any such participation in the application phase for review by Argonne’s Legal Department.

For more information, please feel free to contact Dr. Marco Govoni (

To apply, click here.

Lawrence Livermore National Laboratory High-Energy-Density-Physics Summer Internship Program

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Lawrence Livermore National Laboratory HEDP Summer Internship Program

This is an opportunity for student interns to conduct research in fields such as nuclear physics, radiation transport, hydrodynamics, astrophysics, plasma dynamics, numerical methods, and computer science supporting national security for the Weapons and Complex Integration Directorate. Research projects combine theory with computation and are geared to further the students’ educational goals. During the summer, students work directly with laboratory mentors in their fields of research. Internship opportunities are available for highly qualified candidates at all levels of undergraduate or graduate education. Internships are for 3 months during the summer academic break. Students must arrive in May or June, work for three months and depart in August or September.

Application deadline: January 20, 2020
Apply to job #106049

This program is a good opportunity for students to work on interesting summer projects across the breadth of high energy density physics (including computational transport) and to experience LLNL and California.

Lawrence Livermore National Laboratory LLNL ( applies science and technology to important problems related to national security including nuclear weapons stockpile stewardship, nonproliferation, and homeland security. In support of this mission, the laboratory has a history of and continues to pioneer technical innovations in many areas including high-energy-density physics, high-performance scientific computing, and inertial confinement fusion. LLNL is one of this country’s largest and finest research and engineering laboratories, and is located in beautiful Northern California.

Adjunct MiSTEM Network Project Director and Grant Manager

By | SC2 jobs

Adjunct MiSTEM Network Project Director and Grant Manager 

Where: Regional Math and Science Center

The MiSTEM networks seeks a Project Director to convene, coordinate, direct and support statewide science, technology, engineering, mathematics and related activities. The Project Director will manage the work of the statewide grant efforts to build statewide capacity for STEM education and talent development and co-lead a team of experts and Program Managers supporting this work across the state.This work will involve collaboration with multiple stakeholders in multiple locations across the state, under the direction of the MiSTEM Network Executive Director, the MiSTEM Advisory Council, and advised by the MiSTEM Network Directors. This position is contingent upon grant funding, which will initially run through June 30, 2020 with the possibility of extension beyond.

Required Qualifications and Education:

  • A bachelor’s degree or higher;
  • Project Management or direction skills;
  • Knowledge of or interest in the statewide and/or national landscape for STEM education and talent development;
  • Experience leading stakeholders toward action and outcomes;
  • Proficiency with various communication and productivity tools (Microsoft Office, etc.); and
  • Experience with grants, budgeting, deadlines and reporting.

Preferred Qualifications and Education:

  • Master’s degree or higher in an education discipline or in project/process management;
  • Strong experience and/or master’s in public policy or organizational development;
  • Background or experience STEM education, either in K-12 or higher education;
  • Experience working with data driven decision making, workforce or talent development, building cross-sector teams, or working with researchers and experts or other similar skillsets;
  • Experience bridging education with business and industry, working with philanthropic or community programs or other similar skillsets; and/or
  • Experience facilitating professional learning.

A position posting can be found at: 

Applications will be accepted until Wednesday, November 6, 2019. Apply online at and select “Apply now”. Applicants must include a cover letter, resume or CV, a writing sample, and a vision for education. The online application will allow you to attach these documents electronically. On the application, you will be required to provide names, phone numbers, and e-mail addresses for three professional references. Applicants selected for interviews will be required to submit official transcripts prior to the interview. If you have questions or need assistance, call Human Resources at 616-331-2215.

For questions about this position, please contact Megan Schrauben at