[phenixbb] Project Scientist and Postdoctoral research positions in XFEL, ML, and material science computational methods

[Aaron Brewster]

Hello, I'm excited to announce that two positions are immediately open in
my group in the fields of material science, serial X-ray crystallography,
and machine learning.

Links to postings:
Computational Project Scientist -
https://lbl.taleo.net/careersection/2/jobdetail.ftl?job=93507
Computational Postdoctoral Scholar -
https://lbl.taleo.net/careersection/2/jobdetail.ftl?job=93506

In these exciting roles, you will work in the Molecular Biophysics and
Integrated Bioimaging Division on a project that will research adding
advanced spatial and symmetry aware neural network training methods to
small-molecule chemical crystallography and material science data
processing.  This will use AI methods developed as part of a close
collaboration between teams at Lawrence Berkeley National Labs (LBNL),
University of Connecticut, and MIT.  The larger group is researching
crystal engineering of hybrid coordination polymers towards achieving
rational control over the optoelectronic properties of low-dimensional
nanostructures. These positions are focused on the chemical crystallography
aspect of the program, but the successful candidates will be expected to
participate in all aspects of the program, including data collection at
X-ray free electron lasers worldwide, data analysis on supercomputing
facilities, structure solution, research on AI driven structure prediction,
paper writing, and software management. Both roles are 3 year appointments.

This work will be part of the Department of Energy Integrated Computational
and Data Infrastructure for Science
<https://insidehpc.com/2021/08/doe-funds-15m-for-integrated-computational-and-data-infrastructure-for-science-research-at-5-universities/>
Research
program.

Specific details follow.

Berkeley Lab is committed to Inclusion, Diversity, Equity and
Accountability (IDEA) <https://diversity.lbl.gov/ideaberkeleylab/> and
strives to continue building community with these shared values and
commitments.

Berkeley Lab is an Equal Opportunity and Affirmative Action Employer. We
heartily welcome applications from women, minorities, veterans, and all who
would contribute to the Lab’s mission of leading scientific discovery,
inclusion, and professionalism. In support of our diverse global community,
all qualified applicants will be considered for employment without regard
to race, color, religion, sex, sexual orientation, gender identity,
national origin, disability, age, or protected veteran status.

*Computational Project Scientist*

*What You Will Do:*

   - Design and train neural networks that allow determination of the unit
   cell and crystal orientations of small molecule crystals from sparse,
   randomly oriented diffraction patterns.  This will involve curating
   training sets from simulated datasets and from existing and new
   experimental data that will be collected.
   - Research methods to scale training and use of these neural networks on
   multiple nodes in high performance computing environments.
   - Lead data collection and processing at X-ray free electron sources.
   - Maintain a detailed record of work performed.
   - Document and manage code developed using standard source control
   methods.
   - Publish in peer-reviewed journals.
   - Present research at seminars and conferences.
   - Assist Principal Investigator in developing grant proposals.
   - Document and maintain existing and new data processing software,
   including the cctbx build system.

*What is Required:*

   - 2-5 years of relevant experience beyond the highest degree in Physics,
   Statistics, Crystallography, Artificial Intelligence, or a related field.
   - A strong background in Python, C++, or an equivalent platform for
   scientific computing.
   - A track record of critical thinking, problem solving, and mathematical
   intuition, demonstrated through publications and presentations.

*Desired Qualifications:*

   - Familiarity with general Python scientific data packages such as
   NumPy, SciPy, and pandas.
   - Versed in modern coding practices for scientific computing, including
   algorithm design and evaluation, source code management under a revision
   control system like git, and incorporation of readable documentation and
   comments.
   - Expertise in computational approaches in at least one of the areas
   related to the research is required, including but not limited to
   small-molecular crystallography, structure solution and refinement, unit
   cell determination, neural network design, training, and evaluation, high
   speed computing, image analysis, large dataset analysis, graph theory,
   error propagation and statistics, signal processing, and GPU acceleration.
   - Familiarity with small-molecule material design and synthesis.
   - Strong analytical and organizational skills.
   - Excellent interpersonal, oral, and written communication skills.
   - Ability to work independently as well as part of a diverse team.

*Computational **Postdoctoral Scholar*

*What You Will Do:*

   - Design and train neural networks to model diffraction from small
   molecule crystals.  This will involve curating training sets from simulated
   datasets and from existing and new experimental data that will be collected.
   - Assist in data collection and processing at X-ray free electron
   sources.
   - Maintain a detailed record of work performed.
   - Document and manage code developed using standard source control
   methods.
   - Publish in peer-reviewed journals.
   - Present research at seminars and conferences.

* What is Required:*

   - PhD degree in Physics, Statistics, Crystallography, Artificial
   Intelligence, or a related field.
   - Experience in computational approaches in at least one of the areas
   related to the research, including but not limited to small-molecular
   crystallography, structure solution and refinement, unit cell
   determination, neural network design, training, and evaluation, high speed
   computing, image analysis, large dataset analysis, graph theory, error
   propagation and statistics, signal processing, and GPU acceleration.
   - Strong analytical and organizational skills.
   - Excellent interpersonal, oral, and written communication skills.
   - Ability to work independently as well as part of a diverse team.

* Desired Qualifications:*

   - Familiarity with Python, C++, and general scientific data packages
   such as NumPy, SciPy, and pandas.
   - Familiarity with small-molecule material design and synthesis.

Please do not hesitate to reach out to me for more information.

Thank you,

Aaron S. Brewster, PhD
Computational Research Scientist, Molecular Biophysics and Integrated
Bioimaging Division
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 33R0345
Berkeley, CA 94720
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