1. This summer school brought together scientists from geophysics, physics, materials science, chemistry and high-performance computing to learn fundamentals of Quantum Monte Carlo theory and its applications. The Materials Computation Center, University of Illinois David Ceperley, University of Illinois at Urbana- Champaign, DMR 0325939 Summer School on Quantum Monte Carlo: Theory and Fundamentals Held July 23-27, 2012 at the University of Illinois at Urbana-Champaign Outcomes: One-on-one discussions: Prof. Tony Cancio (Ball State) discusses his application of correlated estimation in Variational Monte Carlo. Broad participation: Videos of the lectures were streamed live, and are freely available on the summer school website. Learning new approaches to large-scale computational problems via daily lectures and computer labs.

2. The Materials Computation Center, University of Illinois David Ceperley, University of Illinois at Urbana- Champaign, DMR 0325939 Lecturers, lab instructors, and organizers: David Ceperley, University of Illinois Ronald Cohen, Carnegie Institution of Washington Kevin Driver, University of California at Berkeley Jeongnim Kim, Oak Ridge National Laboratory Jeremy McMinis, University of Illinois Burkhard Militzer, University of California at Berkeley Umberto Ravaioli, University of Illinois Luke Shulenburger, Sandia National Laboratory Nahil Sobh, University of Illinois Eric de Sturler, Virginia Tech Collaborating institutions: University of Illinois at Urbana-Champaign: (Materials Computation Center, Frederick Seitz Materials Research Laboratory, Beckman Institute for Advanced Science and Technology, Network for Computational Nanotechnology, National Center for Supercomputing Applications) Oak Ridge National Laboratory Supported by NSF-DMR 03-25939, DMS 10-24936, DMS-10-25327, and DMS-1025370. Additional hardware support provided by Dell. Summer School on Quantum Monte Carlo: Theory and Fundamentals Held July 23-27, 2012 at the University of Illinois at Urbana-Champaign Overview of participants: Advanced undergraduate and graduate students, postdoctoral researchers, and senior faculty. Representation from small and large schools, government research labs; Domestic and international participants.

3. The Materials Computation Center, University of Illinois David Ceperley, University of Illinois at Urbana- Champaign, DMR 0325939 Travel Award Program for Young Scientists This program provided support for ~60 young scientists to attend workshops, summer schools and conferences in Europe. While the US tends toward innovation such as high- performance computing, the European strength lies in applications of existing methodology. Benefits: Awardees have benefitted from 1) awareness of research methods and results, 2) international exposure, and 3) potential career opportunities in materials theory. John, Associate Professor, Chemistry, Howard University “ While my original research focus on electronic structure calculations for atoms and molecules remains part of my program, I am expanding into studies of more interest to materials science. This shift necessitated learning other techniques that are capable of describing large-scale systems. Getting to understand the codes from both a mechanical tutorial perspective as well as revisiting the formulation of the theory behind VMC, DMC, and Path Integral methods has been immensely helpful in starting my thinking about how best to approach this new class of problems. ” Justin, Graduate Student, Biochemistry, Virginia Tech “ The speakers were all respected experts in the fields of computational biology, structural studies, and cell biology, and presented their latest results regarding Alzheimer ’ s disease...The workshop was relatively small, giving it an intimacy that is difficult to obtain at larger meetings and I got the opportunity to meet with many scientists who have shaped my career. ”

4. The Materials Computation Center, University of Illinois David Ceperley, University of Illinois at Urbana- Champaign, DMR 0325939 Travel Award Program for Young Scientists Carnegie Institution of Washington College of William and Mary Colorado School of Mines Cornell University Duke University Harvard University Howard University Iowa State University Johns Hopkins University Louisiana State University Massachusetts Institute of Technology Montana State University North Dakota State University Purdue University Rice University University of California at Berkeley University of California at Davis In 2011-2012, the 57 awardees came from 40+ organizations: University of California in San Francisco University of California Irvine University of California, San Diego University of California, Santa Barbara University of Connecticut University of Illinois at Urbana-Champaign University of Minnesota, Twin Cities University of North Carolina at Chapel Hill University of Oregon University of Pittsburgh University of Texas at Austin University of Texas at San Antonio University of Virginia University of Washington Virginia Tech Wadsworth Center / SUNY Albany Wake Forest University School of Medicine Collaborating Institutions: Materials Computation Center at the University of Illinois Centre Européen de Calcul Atomique et Moléculaire Psi-k Organization for Electronic Structure Calculation of Solids and Surfaces

5. The Materials Computation Center, University of Illinois David Ceperley, University of Illinois at Urbana- Champaign, DMR 0325939 Travel Award Program for Young Scientists Young U.S.-based researchers took part in many of the 80+ eligible 2011-2012 workshops and tutorials throughout Europe and the UK. Workshops include: Data-intensive computing in biology (Warrington) Aging of Engineering Materials: a Computational Approach to Durability and Sustainability (Zurich) Anchoring simulations to experiments: challenges for understanding and treating Alzheimer's disease (Paris) Computational Physics Methods for Cancer (Lausanne) Understanding Common Aspects of Extreme Events in Fluids (Dublin) Topological Materials (Bremen) Novel Phenomena in Multi-Condensate Superconductors, Superfluids, and Ultracold Gases (Lausanne) Design of self-assembling materials (Vienna) Graphene: from band structure to many-body physics (Bremen) Protein Folding: Integrating theory, simulation and experiment (Zuerich) Energy from the Sun: Computational Chemists and Physicists Take up the Challenge (Chia Laguna) Polymer Translocation through Nanopores (Mainz) Spin states in biochemistry and inorganic chemistry (Zaragoza) Statistical Mechanics: Interplay of Theory and Computer Simulations (Mainz) Vibrational Optical Activity: Interplay of Theory and Experiment (Pisa) Exploring Protein Interactions through Theory and Experiments (Lausanne)