Quantum Computing at the NASA Langley

NASA is planning to hold a workshop on quantum computing at the NASA Langley Research Center on November 7-8, 2017. The purpose of the workshop is to bring together experts on quantum computing to understand the latest developments and current and future challenges in algorithms and hardware. The workshop will aim to accelerate technology transition towards outstanding aeronautics problems that might benefit from quantum computations in next 10-15 years. The workshop’s goals include developing a roadmap for success towards solution strate­gies for engineering applications. More details are given at the weblink: http://Wewww.nianet.org/QuantumComputing/

CRC Fall 2017 Tutorial Announcement

Dear Users,

We are announcing our Fall 2017 CRC Workshops. First, the schedule:

  1. Wednesday 9/13 (1pm – 4pm): CRC Cluster Usage
  2. Wednesday 10/11 (1pm – 4pm): Linux for HPC
  3. Wednesday 11/8 (1pm – 4pm): Python Programming
  4. Wednesday 12/6 (1pm – 4pm): R Programming

First workshop will be located in 266 Chevron Computer Lab, Ashe Annex Balcony. We will announce the location for the other three workshops in the future.


If you need a SaM account apply for one at http://core.sam.pitt.edu/apply. Otherwise please register at http://core.sam.pitt.edu/Registration_Fall2017_Tutorial

Thank you,

CRC Team

Workshop on FreeFEM

The Department of Mathematics of the University of Pittsburgh will be hosting a workshop on FreeFEM++ given by Professor Frederic Hecht:
What: An Introduction to Scientific Computing using Free Software FreeFem++
Description of the workshop from Professor Hecht:
“I would like it to be possible to solve digitally, in a user-friendly way, the problems modeled by partial differential equations (PDEs) from physics, engineering, computing graphics and recently from the finance-banking sector. This problem is therefore at the interface between applied mathematics, numerical analysis, computer science and the relevant applications (fluid mechanics, electromagnetism, quantum mechanics and stock options in finance).”
Where: Thackery hall Room 427
When: August 22, 2017 (All day) – September 1, 2017 (All day)
Who: Everyone is welcome. However, the current room is not large. It would be helpful to email us (wjl@pitt.edu or Trenchea@pitt.edu) if you plan to attend so we can estimate audience size and adjust if necessary.

For more information and the detailed schedule, please visit: http://www.mathematics.pitt.edu/node/2052

Wednesday April 12: On-The-Fly Heuristic Reordering Approach to Deterministic Optimization For Qualitative Chemical Property Prediction


B. Christopher Rinderspacher
Army Research Laboratory


On-The-Fly Heuristic Reordering Approach to Deterministic Optimization For Qualitative Chemical Property Prediction


Wednesday, April 12th
307 Eberly Hall


Chemical optimization and design affords current and future researchers the ability to harness the potential of chemical space towards the fast and efficient discovery of novel materials. In the present work, a multi-constraint deterministic optimization technique based on the on-the-fly heuristic reordering of chemical subspace has been developed and used towards materials discovery in several systems of interest. The competitive advantage of the deterministic optimization method results from the combination of fast computational techniques and innovative design algorithms which allow for intelligent screening of a large number of chemical compounds within a reasonable computational time.  A family of search algorithms has been used to approach the problem of navigating chemical subspace, including general base line search and general base gradient local search techniques. Because ideal ordering of the chemical subspace is not known, measures must be taken to ensure that the space is being sampled properly. There are several strategies utilized in this work to ensure this requirement is being satisfied. First, optimization algorithms based on heuristic reordering of the chemical subspace are developed to assist and direct the optimization procedure. The heuristic reordering algorithms play an essential role in optimization efficiency and each heuristic scheme has been uniquely developed as an effort to further enhance the subspace sampling. Each of these algorithms have been benchmarked and tested for their performance with respect to candidate structure discovery. In addition, to further combat the potential subspace sampling partiality, a binary entropic, enhanced sampling approach has been employed. This technique allows for generation and searching of structures which are chemically maximally different from the local best candidate structure. This is advantageous because a larger breadth of space is able to be sampled in an equally efficient manner. This method has been applied to several systems of interest including high-hyperpolarizability materials, energetic materials and optically switchable materials. Detailed analysis was performed for each of these systems and qualitative structure property relationships were determined.

2017 International Summer School on HPC Challenges in Computational Sciences

Graduate students and postdoctoral scholars from institutions in Canada, Europe, Japan and the United States are invited to apply for the eighth International Summer School on HPC Challenges in Computational Sciences, to be held June 25 to 30, 2017, in Boulder, Colorado, United States of America.

Applications are due March 6, 2017. The summer school is sponsored by Compute/Calcul Canada, the Extreme Science and Engineering Discovery Environment (XSEDE) with funds from the U.S. National Science Foundation, the Partnership for Advanced Computing in Europe (PRACE) and the RIKEN Advanced Insti­tute for Computational Science (RIKEN AICS).

For more information click here

Parameter Estimation and Uncertainty Quantification for Dynamical Systems

March 5-6, 2017


  • The workshop will address resent recent results on topics revolving around the characterization and reduction of uncertainties connected with differential equation model development and assimilation of data, parameter estimation and identification, probabilistic DE integration and trajectory prediction, and associated applications.
  • The workshop will be held in the University Club, 123 University Place, Pittsburgh, PA 15260, located on the campus of the University of Pittsburgh.


  • Daniela Calvetti (Case Western University)
  • David Campbell (Simon Fraser University, Canada)
  • Oksana Chkrebtii (Ohio State University)
  • Marisa Eisenberg (University of Michigan)
  • Louis Ellam (Warwick University, UK)
  • Brian Hunt (University of Maryland)
  • Youssef Marzouk (MIT)
  • Mette Olufsen (North Carolina State University)
  • Timothy Sauer (George Mason University)
  • Cosma Shalizi (Carnegie Mellon University)
  • Ralph Smith (North Carolina State University)
  • David Swigon (University of Pittsburgh)
  • Catalin Trenchea (University of Pittsburgh)
  • Eberhard Voit (Georgia Tech University)
  • Hulin Wu (University of Texas Health Center at Houston)


  • There is no registration fee but all attendees must register prior to the event via this online form

ARC 2017 – Advancing Research through Computing

Downtown Pittsburgh (image courtesy of Mehdi B. Nik)

Downtown Pittsburgh (image courtesy of Mehdi B. Nik)

Thursday, March 2nd, 2017

University Club

University of Pittsburgh

Registration is now open!  Click to register and get poster submission guidelines

The Center for Simulation and Modeling is pleased to host the third annual symposium on Research Computing.  The symposium will consist of invited lectures that cover Urban Computing and Machine Learning aimed at a general audience including scientists and engineers.

Click here for the detailed speaking schedule and program.

Keynote Speaker: Charlie Catlett, Director of the Urban Center for Computation and Data

Plenary Speaker: Manuela Veloso, University Professor Head, Machine Learning Department, Carnegie Mellon University

Additional Invited Talks:

Symposium at a Glance – Thursday, March 2:




8:20 AM – 11:35 AM Keynote and invited talks University Club, Ballroom A
11:35 – 1:00 P.M. Lunch Pitt’s campus
1:00 PM – 4:00 PM Plenary and invited talks University Club, Ballroom A
4:00 PM – 5:30 PM Poster Session University Club, Conference Room A
5:30 PM – 7:30 PM Symposium Dinner University Club, Ballroom A

Click here for the detailed speaking schedule and program.

The symposium is open and free of charge to any academic participant.  Interested parties from private industry/corporations may register for the symposium at no charge, and are welcome to attend the banquet for a fee.  Please contact Wendy Janocha if interested.

Last year’s symposium, http://www.sam.pitt.edu/arc2015/