# Tutorials

### Registration Fees

- Meeting Attendees:
**$125 per tutorial** - Students:
**$65 per tutorial**

### Registration Information

- Register for tutorials when you register for the meeting.
- Register early! Space is limited and tutorials will fill up.

- Preregistration required—No onsite registration (Deadline: February 12, 2016)

Tutorials are half-day workshops held on the Sunday before the opening of the March Meeting organized by March Meeting Program Chairs. There are five morning and five afternoon tutorials. See complete information about each tutorial, including content description and speakers, below.

Morning TutorialsTutorial #1 Tutorial #2 Tutorial #3 Tutorial #4 Tutorial #5 |
Afternoon TutorialsTutorial #6 Tutorial #7 Tutorial #8 Tutorial #9 Tutorial #10 |

### Tutorial #1: Density Functional Theory

**When?**

Sunday, March 13, 2016

8:30 a.m. - 12:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, post-docs, and other scientists interested in learning about the essential elements of Density Functional Theory, both in its ground-state and time-dependent formulations. The tutorial talks will be very pedagogical, covering the fundamentals of the theory and a few applications, latest developments, and unsolved questions. This tutorial will be a good introduction for those who are planning to attend the symposium “Recent Advances in Density Functional Theory” or other focused sessions at this APS meeting.

**Organizer**

Kieron Burke, University of California, Irvine

**Instructors**

• Neepa Maitra, Hunter College & Graduate Center of the City University of New York

• John Perdew, Temple University

• Carsten Ullrich, University of Missouri-Columbia

• Adam Wasserman, Purdue University

Density Functional Theory (DFT) provides a practical route for calculating the electronic structure of matter at all levels of aggregation. Five decades after its inception, it is now routinely used in many fields of research, from materials engineering to drug design. Time-dependent Density Functional Theory (TDDFT) has extended the success of DFT to time-dependent phenomena and excitations. Most applications are carried out in the linear-response regime to describe molecular excitations, but the theory is applicable to a much broader class of problems, including strong-field phenomena, attosecond control of electron dynamics, nanoscale transport, and non-adiabatic dynamics of coupled electron-nuclear systems. The tutorial will provide an introduction to the basic formalism of DFT and TDDFT, an overview of state-of-the-art functionals and applications, and a discussion of the most pressing open questions.

**Topics**

**DFT:**Basic theorems of ground-state DFT, with simple examples; exchange-correlation functionals and exact conditions such as scaling, self-interaction, and derivative discontinuities; exact exchange and beyond; the Jacob’s ladder of Density Functional approximations.**TDDFT:**Basic theorems of TDDFT, with simple examples; survey of time-dependent phenomena; memory dependence; linear response and excitation energies; optical processes in materials; multiple and charge-transfer excitations; current-TDDFT; nanoscale transport; strong-field processes; nonadiabatic electron-nuclear dynamics.

### Tutorial #2: Probing Photovoltaic Devices with State-of-the-Art Imaging Tools

**When?**

Sunday, March 13, 2016

8:30 a.m. - 12:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, postdocs, and researchers interested in an introduction to modern characterization tools for renewable energy devices, from their instrumentation to data interpretation.

**Organizer**

Marina Leite, University of Maryland

**Instructors**

• Mariana Bertoni, Arizona State University

• Marina Leite, University of Maryland

• Lynn Loo, Princeton University (To be confirmed)

• Richard King, Arizona State University (To be confirmed)

This tutorial aims at discussing the state-of-the-art, modern tools currently used to image photovoltaic devices with unprecedented spatial resolution. The series of four lectures will include: (i) an introduction to the latest tools developed; (ii) an overview of the different probes, including electron beam, X-rays, and near-field scanning optical microscopy, and how they are implemented to provide new information; (iii) how this information is correlated to the optoelectronic response of different solar cells, (iv) an analysis of their advantages and limitations, and (v) an overview of this rapidly evolving field and how sophisticated instrumentation can pave the way for advancing our understanding of light-matter interactions in photovoltaic devices.

Tutorial #3: Quantum Spintronics

**When?**

Sunday, March 13, 2016

8:30 a.m. - 12:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, post-docs, and other scientists interested in learning about the exciting new area of quantum spintronics. The tutorial talks will be very pedagogical, describing the theoretical foundations and tools of the field, the techniques for growth and fabrication of quantum spintronic devices, and their optical, magnetic and electronic characterization. Latest developments and open questions will also be prominently featured.

**Organizers**

Michael E. Flatté, University of Iowa and David D. Awschalom, University of Chicago

**Instructors**

• David D. Awschalom, University of Chicago

• Christoph Boehme, University of Utah

• Michael E. Flatté, University of Iowa

• Evelyn Hu, Harvard University

Quantum spintronics is an emerging field of spin coherence and spin correlations at or near room temperature, and how they affect a wide range of properties, including spin dynamics and light emission from color centers in solids, spin and charge transport in organic materials, spin-dependent transport in tunnel junctions, dynamic nuclear polarization, and animal sensing of magnetic fields. By relying on room-temperature spin coherence and spin correlations, room-temperature quantum spintronic systems can be much more sensitive to external perturbations than sensors that must be very near thermal equilibrium. Applications include sensing of magnetic fields in biological systems (e.g. color centers in diamond and other wide-band-gap semiconductors and insulators), control of light emission intensity from organic light emitting diodes (e.g. thermally-activated delayed fluorescence), spin injection, spin dynamics, and coherent optical interactions with single spins (color-center photonics). Highly sensitive room-temperature spin systems also feature prominently in proposals for very low power electronic logic. The tutorial will provide an introduction to the materials and operating regimes that tend to exhibit room-temperature spin coherence and spin correlations, the methods of calculating and measuring these properties, the areas of initial application and the critical open questions in the field.

**Topics**

**Theory:**Spin dynamics and transport (density matrix and stochastic Liouville equations, master equations), color-center properties (density functional theory, symmetry analyses), ranging from simple (analytic) models and calculations to state of the art numeric.**Growth and Fabrication:**Organic constituents, diamond and silicon carbide growth and color center control, color-center photonics**Characterization:**Optical and coherent RF probes of spin dynamics in color centers, organic spin-coherent materials, and photonic devices.

Tutorial #4: X-ray Scattering in Condensed Matter Physics

**When?**

Sunday, March 13, 2016

8:30 a.m. - 12:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, post-docs, university faculty, industrial researchers and program managers who are interested in a broad introduction to the current state of basic and applied x-ray scattering methods in condensed matter physics. We particularly encourage participation of graduate students and post-docs and each talk will begin from a level appropriate for junior researchers.

**Organizer**

Paul G. Evans, University of Wisconsin-Madison, pgevans@wisc.edu

**Instructors**

• Aaron Lindenberg, Stanford University

• Karl Ludwig, Boston University

• Mark Dean, Brookhaven National Laboratory

• Stephen Kevan, Lawrence Berkeley Laboratory/University of Oregon

X-ray scattering provides fundamental insight into the structure and physical phenomena of condensed matter using methods and sources that developing extremely rapidly. The rich fundamental interactions of x-ray radiation (photons with energies in the range from hundreds of eV to tens of keV) with matter provide the means to probe physical phenomena using diffraction, scattering, and magnetic and electronic spectroscopies. The impact of x-ray methods is immense, and likely to grow in the future as methods that exploit the time structure, transverse and longitudinal coherence, and high flux of storage-ring and free-electron-laser light sources continue to be developed and applied. Problems in soft matter, two-dimensional and topological materials, magnetism, are all being rapidly addressed by developments in the field.

This tutorial aims to provide a fundamental introduction to x-ray methods in the physical sciences for physicists from all backgrounds, to acquaint them with current and emerging methods in x-ray scattering, and to introduce methods that will be enabled by the rapid developments in the field.

**Topics**

- Fundamental x-ray/matter interactions and source of x-rays
- Coherence methods in x-ray imaging
- Ultrafast x-ray methods
- Inelastic spectroscopy of elementary excitations
- Fluctuations in soft matter and at phase boundaries
- Structural methods for 2D and 3D materials

Tutorial #5: Colloids and Granular Materials

**When?**

Sunday, March 13, 2016

8:30 a.m. - 12:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, post-docs, and university faculty, who are interested in a broad introduction to the current state of basic and applied research in soft condensed matter. Junior scientists and established researchers will gain insight into the open questions and key techniques in both colloids and granular materials.

**Organizers**

Eric Weeks, Emory University and Karen Daniels, North Carolina State University

**Instructors**

• Karen Daniels, North Carolina State University

• Scott Franklin, Rochester Institute of Technology

• Eric Weeks, Emory University

• Roseanna Zia, Cornell University

Many soft materials are composed of discrete particles, either small enough to be suspended in a fluid (colloids) or large enough to primarily interact through frictional contact forces (dry granular materials). Particulate materials at both length scales have important applications in pharmaceutical, manufacturing, and geophysical scenarios. Recent decades have seen huge advances in our understanding of how interactions at the particle scale translate to bulk behaviors such as rheology, segregation, and force transmission.

The tutorial will consist of a set of inter-connected lectures on key phenomena, experimental techniques, simulation methods, descriptive frameworks, and theoretical approaches. Some of these are shared in common between the two systems, and others are distinct.

This tutorial is intended to be the first in a yearly series in which we
highlight various states of soft matter. The GSOFT Program Committee
welcomes suggestions about what states to feature in future years.

**Topics**

- Colloidal interactions
- Phase behavior of hard-sphere colloids
- Key phenomena of granular materials
- Experimental and simulation methods

### Tutorial #6: Quantum Characterization, Verification, & Validation (QCVV)

**When?**

Sunday, March 13, 2016

1:30 p.m. - 5:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, post-docs, university faculty, industrial researchers and program managers who need to characterize qubits (e.g. experimentalists), or want to understand the state of the art in characterizing and validating the behavior of quantum information processors. We particularly encourage participation of graduate students and post-docs and each talk will begin from a level appropriate for junior researchers.

**Organizer**

Robin Blume-Kohout, Sandia National Laboratories

**Instructors**

• Joseph Emerson, University of Waterloo / IQC

• Steven Flammia, University of Sydney

• Jay Gambetta, IBM

• Kenneth Rudinger, Sandia National Labs

• Erik Nielsen, Sandia National Labs

Quantum information science has grown explosively over the past 20 years: the APS’s topical group on quantum information (GQI) is poised to become a full division of the APS, and both funding and research in QI continue to grow exponentially. QI research addresses fundamental questions (what can be computed or communicated using quantum resources?), but is rooted in the grand challenge of creating quantum systems that can reliably process information—a.k.a. quantum logic devices or **qubits**. The startling pace at which experimentalists are achieving this goal has created an urgent need for theories and methods that can characterize quantum logic devices (for debugging and development), verify that they work as intended, and validate their design. This tutorial will provide a comprehensive introduction to this area (known as QCVV), and a survey of cutting-edge research and pressing open problems.

Some prior knowledge of quantum information science is recommended (e.g. a 1-year graduate course, or research experience), but **not** required. Tutorial lectures will cover the foundations of the field (e.g. quantum state and process tomography), current mainstream methods (e.g. randomized benchmarking), and recent developments (e.g. gate set tomography, robust phase estimation, extensions of randomized benchmarking). They will also address the question of what “quantum logic devices” are supposed to do, and how this influences the theory and practice of QCVV.

**Topics**

- The structure of quantum information: what qubits are and what they do.
- Fault tolerant quantum computing: what properties of qubits need to be QCVVed
- Randomized benchmarking
- Quantum state and process tomography
- Calibration-free characterization methods (gate set tomography, robust phase estimation, etc)

### Tutorial #7: Characterization of materials through many body theory from ABINIT

**When?**

Sunday, March 13, 2016

1:30 p.m. - 5:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, post-docs, university faculty and industrial researchers interested in learning the basis on how to do accurate electronic structure calculations and perform calculations using ABINIT for accurate electron band structures, electron band gaps, magnetic exchange couplings, total energies, etc using many body theories such as the GW approximation, dynamical mean field theory, and the Bethe-Salpeter equation.

We will assume a fair knowledge of quantum mechanics and the basis of density functional theory at the level of a junior researcher.

**Organizers**

Aldo Humberto Romero, West Virginia University and Bernard Amadon, CEA, Arpajon, France

**Instructors**

• Fabien Bruneval, CEA Saclay, France

• Gian Marco Rignanese, Université Catholique de Louvain, Belgium

• Bernard Amadon, CEA Arpajon, France

• François Jollet, CEA Arpajon, France

Electronic structure calculations by means of first principle methods are routinely performed to characterize materials. Even though, density functional theory is the most used theory for such purpose, it fails to describe properly some properties of interest such as optical spectra, optical excitations, dielectric constants, etc. In particular, the disagreement becomes more evident for highly correlated materials, where the known functionals are unable to accurately describe the strong electron correlation. While theories as DFT+U has entered into this arena, this now depend on some parameters that are sometimes fitted, which is rather cumbersome.

In the recent years, several theories have been developed that try to address these problems. The goal of this tutorial is to give a grasp of such calculations when performed within the ABINIT code. An overview of many body perturbation theory (at the GW and Bethe-Salpeter level) and dynamical mean field theory will be given. Particular emphasis will be presented to demonstrate how these calculations can be done in ABINIT.

**Topics**

- Many body perturbation theory
- GW approximation
- Bethe-Salpeter approximation
- Calculation of RPA correlation energy
- Dynamical Mean Field Theory (DMFT)
- Coupling DMFT with DFT
- Calculation of the screened Coulomb Interaction "U"

### Tutorial #8: Mathematica and WOLFRAM Language for Physics Education and Research

**When?**

Sunday, March 13, 2016

1:30 p.m. - 5:30 p.m.

**Where?
**TBD

**Why You Should Attend**

Expert speakers will highlight the usage of Mathematica and Wolfram Language in diverse physics education and research (PER) settings. Key speaker Dr. Craig Carter from MIT will give a nutshell overview of his open publication and distribution platform for interactive STEM curriculum. Other speakers will cover applications in research, industry and education.

**Who Should Attend?**

Researchers and educators. Graduate students, post-docs, university faculty and industry professionals interested in learning how to leverage Mathematica and other Wolfram Technologies effectively in physics research and teaching. We encourage participation from current and former users as well as attendees who haven’t used Mathematica yet and want a technical overview of its relevant capabilities.

**Organizer**

Vitaliy Kaurov, WOLFRAM

**Instructors**

• Craig Carter, MIT

• Marco Thiel, University of Aberdeen

• Terry Honan, Blinn College

• Additional instructor TBD

This tutorial will cover Mathematica and Wolfram Language functionality relevant to PER—including features introduced in the most recent versions. Symbolic, numeric and high performance computing are pillars of modern PER and we intend to cover applied examples ranging from classical physics to the emerging fields of machine learning and data mining. We will also discuss innovative education techniques related to massive open online courses, strategies for modern curriculum development, interactive learning, and automated knowledge and intelligence systems.

**Topics**

- Foundations of symbolic and hybrid symbolic-numeric computing
- Computational geometry
- Advanced numerical and analytical functionality
- High performance computing
- Simulations as foundation of computer experiments
- Interactive classrooms
- MOOC and strategies for building modern curriculum
- Interactive digital textbooks and courseware
- Publishing with your students – a career jump start
- Extracting, analyzing, and visualizing experimental data
- Hardware and device integration
- Machine learning and data mining
- Graph and networks
- 3D printing
- Built-in physical encyclopedic knowledge and data

### Tutorial #9: Molecular Dynamics Simulations of Biological Systems

**When?**

Sunday, March 13, 2016

1:30 p.m. - 5:30 p.m.

**Where?
**TBD

**Who Should Attend?**

Graduate students, post-docs, university faculty and industrial researchers who are interested in a quick and easy introduction to analytic methods in biophysics. This includes molecular dynamics simulations and statistical analysis of data.

**Organizer**

Steven D. Schwartz, University of Arizona

**Instructors**

• Rafael C. Bernardi, University of Illinois at Urbana-Champaign

• Anirvan Sengupta, Rutgers University

This tutorial will cover two distinct topics in modern biophysical methods.

First, computer simulations of biomolecular systems. All-atom molecular dynamics (MD) simulations, employing classical mechanics, enabled to study a broad range of biological systems, from small molecules or peptides to very large protein complexes such as the ribosome or virus capsids. Now, in the era of petascale computing, high-performance MD software packages, such as NAMD, are being optimized for scaling to an ever-increasing number of cores on cutting-edge computing hardware, enabling the investigation of previously unfathomable biological phenomena through the use of large-scale atomistic simulations. The advances are however not limited to large supercomputers and even small portable computers can be nowadays used to study protein dynamics at atomic level, making MD simulations accessible to all. The goal of this tutorial session is to provide an introduction to the basic concepts of MD simulations, by introducing junior researchers and experimentalists to the use of NAMD and VMD. More specifically we will help new users to setup the simulations by using a new and powerful interface of NAMD built in VMD, where the user will be able to learn how to setup and analyze simulations by actually performing simple simulations in their portable computers in a guided and easy form.

Second, the application of probabilistic and statistical analysis to biophysical data. After a brief review of important probability distributions, point estimation and asymptotic properties of maximum likelihood estimates, followed by significance tests, especially goodness-of-fit tests will be discussed. The Bayesian approach to these problems will be introduced and emphasis will be given to the role of simulation. This section of the tutorial ends with a brief overview of statistical learning/machine learning by briefly discussing latent variable models and kernel methods in the context of classification.

**Topics**

- Molecular dynamics simulations of proteins in implicit and explicit solvent
- Studying different mutants of a protein by molecular dynamics simulations
- Steered molecular dynamics simulations – pulling proteins apart
- Analyzing simulations and the production of high quality images with VMD
- Probability distributions and maximum likelihood analysis
- Bayesian statistics
- Machine learning

### Tutorial #10: Introduction to Computational Quantum Nanoelectronics

**When?**

Sunday, March 13, 2016

1:30 p.m. - 5:30 p.m.

**Where?
**TBD

**Who Should Attend?**

PhDs, postdocs, and faculty (both experimentalists and theorists) interested in calculating the transport properties of quantum nano-systems (nanowires, semiconducting heterostructures, graphene, topological insulators…). We particularly encourage participation of experimentalists wanting to develop their own modeling of their experiments. Basic knowledge of quantum mechanics, statistical physics and condensed matter would help to fully benefit from the tutorial.

**Organizer**

Christoph Groth, SPSMS, CEA, INAC Grenoble France

**Instructors**

• Anton Akhmerov, TU Delft, Netherlands

• Christoph Groth, SPSMS, CEA, INAC Grenoble France

• Xavier Waintal, SPSMS, CEA, INAC Grenoble France

• Michael Wimmer, TU Delft, Netherlands

Quantum nanoelectronics deals with the physics of small (< 1 μm) and/or cold (down to ~10 mK) objects connected to the macroscopic world through electrodes or gates. A central question at the core of this field is how quantum effects can be observed and manipulated through the macroscopic measuring apparatus. In this tutorial, we will give a pedagogical introduction to the field. We will start with an introduction to the main theoretical concepts and a review of some seminal experiments. The central part of the tutorial will be devoted to practical training on numerical calculations: we will demonstrate how researchers can simply setup their own models and perform their own calculations. These calculations can be used for theoretical predictions, to explain experimental data or even to assist the conception of device design.

The numerical part of the lecture is based on the Python programming language and the Kwant package. No particular background in programming is needed.

**Topics**

- Scattering theory of transport, Landauer formula for the conductance
- Continuous and discrete models (effective mass, Dirac equation, fermion doubling theorem)
- Electronic interference effects (Aharonov-Bohm effect, universal conductance fluctuations)
- Topological matter, quantum Hall effect
- Time-resolved nanoelectronics
- Numerical calculations with Python
- Hands-on tutorial on Kwant
- Practical example of the modeling of an experiment