The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

First-principles calculations in crystalline structures are often performed with a planewave basis set. To make the number of basis functions tractable two approximations are usually introduced: core electrons are frozen and the diverging Coulomb potential near the nucleus is replaced by a smoother expression. The norm-conserving pseudopotential was the first successful method to apply these approximations in a fully ab initio way. Later on, more efficient and more exact approaches were developed based on the ultrasoft and the projector augmented wave formalisms. These formalisms are however more complex and developing new features in these frameworks is usually more difficult than in the norm-conserving framework. Most of the existing tables of norm- conserving pseudopotentials, generated long ago, do not include the latest developments, are not systematically tested or are not designed primarily for high accuracy. In this paper, we present our PseudoDojo framework for developing and testing full tables of pseudopotentials, and demonstrate it with a new table generated with the ONCVPSP approach. The PseudoDojo is an open source project, building on the AbiPy package, for developing and systematically testing pseudopotentials. At present it contains 7 different batteries of tests executed with ABINIT, which are performed as a function of the energy cutoff. The results of these tests are then used to provide hints for the energy cutoff for actual production calculations. Our final set contains 141 pseudopotentials split into a standard and a stringent accuracy table. In total around 70.000 calculations were performed to test the pseudopotentials. The process of developing the final table led to new insights into the effects of both the core-valence partitioning and the non-linear core corrections on the stability, convergence, and transferability of norm-conserving pseudopotentials. ...Comment: abstract truncated, 17 pages, 25 figures, 8 table

Contrasting SYK-like Models

We contrast some aspects of various SYK-like models with large-$N$ melonic behavior. First, we note that ungauged tensor models can exhibit symmetry breaking, even though these are 0+1 dimensional theories. Related to this, we show that when gauged, some of them admit no singlets, and are anomalous. The uncolored Majorana tensor model with even $N$ is a simple case where gauge singlets can exist in the spectrum. We outline a strategy for solving for the singlet spectrum, taking advantage of the results in arXiv:1706.05364, and reproduce the singlet states expected in $N=2$. In the second part of the paper, we contrast the random matrix aspects of some ungauged tensor models, the original SYK model, and a model due to Gross and Rosenhaus. The latter, even though disorder averaged, shows parallels with the Gurau-Witten model. In particular, the two models fall into identical Andreev ensembles as a function of $N$. In an appendix, we contrast the (expected) spectra of AdS$_2$ quantum gravity, SYK and SYK-like tensor models, and the zeros of the Riemann Zeta function.Comment: 45 pages, 17 figures; v2: minor improvements and rearrangements, refs adde

Towards an Intelligent Tutor for Mathematical Proofs

Computer-supported learning is an increasingly important form of study since it allows for independent learning and individualized instruction. In this paper, we discuss a novel approach to developing an intelligent tutoring system for teaching textbook-style mathematical proofs. We characterize the particularities of the domain and discuss common ITS design models. Our approach is motivated by phenomena found in a corpus of tutorial dialogs that were collected in a Wizard-of-Oz experiment. We show how an intelligent tutor for textbook-style mathematical proofs can be built on top of an adapted assertion-level proof assistant by reusing representations and proof search strategies originally developed for automated and interactive theorem proving. The resulting prototype was successfully evaluated on a corpus of tutorial dialogs and yields good results.Comment: In Proceedings THedu'11, arXiv:1202.453

Dimension and Dimensional Reduction in Quantum Gravity

A number of very different approaches to quantum gravity contain a common thread, a hint that spacetime at very short distances becomes effectively two dimensional. I review this evidence, starting with a discussion of the physical meaning of "dimension" and concluding with some speculative ideas of what dimensional reduction might mean for physics.Comment: 33 page draft of solicited review article -- comments and added references welcome; v2: many added references, minor clean-u

A New Approach to Black Hole Microstates

If one encodes the gravitational degrees of freedom in an orthonormal frame field there is a very natural first order action one can write down (which in four dimensions is known as the Goldberg action). In this essay we will show that this action contains a boundary action for certain microscopic degrees of freedom living at the horizon of a black hole, and argue that these degrees of freedom hold great promise for explaining the microstates responsible for black hole entropy, in any number of spacetime dimensions. This approach faces many interesting challenges, both technical and conceptual.Comment: 6 pages, 0 figures, LaTeX; submitted to Mod. Phys. Lett. A.; this essay received "honorable mention" from the Gravity Research Foundation, 199