Jochberg

Bavaria, Germany

About Me

     

I'm a computational physicists an research software engineer with a focus on high-performance computing (HPC). As part of the National High-Performance Computing Alliance (NHR), I optimize - and help other people optimize - HPC codes and develop tools for monitoring and tuning the (parallel-)performance of software.

In my research as a scientist, I develop and use a variety of novel methods and technologies to gain insights into quantum systems. In particular, I've developed a quantum monte carlo code (in Julia) to study metallic quantum criticality, I've used machine learning to identify phase transitions and non-Fermi liquid physics, I've used the functional renormalization group to study the effect of interactions in graphene, and I've used a (real) quantum computer to run parallel quantum chemistry simulations.

I actively contribute to many free and open source software projects, mostly focused on scientific computing and Julia. In particular, I am a co-organizer of JuliaCon and, until recently, was editor-in-chief of the Julia Proceedings.

As a freelancer, I offer consulting services and deliver workshops at public and private institutions. (Feel free to reach out.)

Education

I obtained my PhD in theoretical physics in the Computational Condensed Matter Physics group of Prof. Simon Trebst at the University of Cologne. Previously, I worked with Prof. Peter Kopietz and Prof. Roser Valenti at the Goethe University and the University of Florida. Fortunately, I also had the distinct pleasure of conducting multi-month research stays at Stanford University (Prof. Steve Kivelson), the University of Chicago, and the Weizmann Institute of Science (Prof. Erez Berg). Besides physics, I took various computer science courses at TU Darmstadt.

Science

Metallic quantum criticality and high-temperature superconductivity

Method: Quantum Monte Carlo

In this work, we present numerically exact results from sign-problem free quantum Monte Carlo simulations for a spin-fermion model near an \(O(3)\) symmetric antiferromagnetic (AFM) quantum critical point. We find a hierarchy of energy scales (see figure) that emerges near the quantum critical point, indicating the onset of Landau damping and a transition into a superconducting \(d-\)wave state.

Reading: paper, talk, code, numerics paper, numerics package, thesis

Machine learning transport properties of quantum matter

Method: Quantum Loop Topography

We demonstrate that a machine learning technique dubbed quantum loop topography (QLT) can be used to directly probe transport properties by machine learning current-current correlations in imaginary time. We showcase this approach by studying the emergence of relevant fluctuations in three systems: the negative-U Hubbard model, a spin-fermion model for a metallic quantum critical point, and a similar model describing nematic order. For all systems, we find that the QLT approach detects a change in transport in very good agreement with their established phase diagrams. For the models describing spin-density wave and nematic order, QLT reveals an extended dome-shaped non-Fermi liquid regime.

Reading: paper1, book article, paper2, thesis

Parallel Quantum Chemistry on Noisy Quantum Computers

Method: Quantum Computing

We present a novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers. This approach is based on the reduced density-matrix functional theory (RDMFT) formulation of the electronic structure problem. For that purpose, the density-matrix functional of the full system is decomposed into an indirectly coupled sum of density-matrix functionals for all its subsystems using the adaptive cluster approximation to RDMFT. The approximations involved in the decomposition and the adaptive cluster approximation itself can be systematically converged to the exact result. The solutions for the density-matrix functionals of the effective subsystems involves a constrained minimization over many-particle states that are approximated by parametrized trial states on the quantum computer similarly to the variational quantum eigensolver. The independence of the density-matrix functionals of the effective subsystems introduces a new level of parallelization and allows for the computational treatment of much larger molecules on a quantum computer with a given qubit count. In addition, for the proposed algorithm techniques are presented to reduce the qubit count, the number of quantum programs, as well as its depth. The new approach is demonstrated for Hubbard-like systems on IBM quantum computers based on superconducting transmon qubits.

Reading: paper, code

Quasiparticle velocity renormalization in graphene

Method: Functional Renormalization Group

In this work, we take a systematic functional renormalization group (FRG) approach in studying graphene many-body effects at the Dirac point due to long-range Coulomb interactions. In particular, we examine the renormalization of the quasiparticle velocity, as observed in experiments, by establishing a low-energy effective QFT and deriving an infinite hierarchy of exact flow equations. By means of a scaling dimension analysis, we deduce a system of coupled integro-differential equations describing the renormalized quasiparticle velocity and dielectric function in graphene at arbitrary scales. In the static screening limit, the full numerical solutions indicates that the Dirac cone gets strongly modified by long-range Coulomb interactions in the vicinity of the Dirac point.

Reading: paper, thesis, talk

Workshops

I regularly give workshops at universities and private research institutions, mostly with a focus on scientific numerical computing, high-performance computing and research software engineering. If you're curious, feel free to reach out. I'm looking forward to your inquiry!

Julia for HPC Workshop

Julia is a beautiful programming language for numerical computing that is free to use and open source. It explores the tradeoffs in language design for dynamic programming languages and aims to be as accessible as Python while still being as fast as statically compiled languages (eg. C, Fortran). My 4-day course is targeted at researchers who are interested in numerical computing and who want to learn how to write high-performance codes in Julia. To get an impression of the content, check out e.g. this GitHub repository.

Customers & Partners

Publications

2024

"Noctua 2 Supercomputer"
Carsten Bauer, Tobias Kenter, Michael Lass, Lukas Mazur, Marius Meyer, Holger Nitsche, Heinrich Riebler,
Robert Schade, Michael Schwarz, Nils Winnwa, Alex Wiens, Xin Wu, Christian Plessl, and Jens Simon
Journal of Large-Scale Research Facilities 9
PC2 / NHR

2022

"Bridging HPC Communities through the Julia Programming Language"
Valentin Churavy, William F Godoy, Carsten Bauer, Hendrik Ranocha, Michael Schlottke-Lakemper, Ludovic Räss,
Johannes Blaschke, Mosè Giordano, Erik Schnetter, Samuel Omlin, Jeffrey S. Vetter, and Alan Edelman
arXiv:2211.02740
PC2 - MIT - ORNL - NERSC - HLRS - CSCS - and more

"Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers"
Robert Schade, Carsten Bauer, Konstantin Tamoev, Lukas Mazur, Christian Plessl, and Thomas D. Kühne
Phys. Rev. Research 4, 033160
PC2 / NHR

2021

"Identification of Non-Fermi Liquid Physics in a Quantum Critical Metal via Quantum Loop Topography"
George Driskell, Samuel Lederer, Carsten Bauer, Simon Trebst, and Eun-Ah Kim
Phys. Rev. Lett. 127, 046601
Cologne - Cornell

2020

PhD thesis: "Simulating and machine learning quantum criticality in a nearly antiferromagnetic metal"
Advisor: Prof. Dr. Simon Trebst
Thesis PDF, Defense Talk

"Fast and stable determinant Quantum Monte Carlo"
Carsten Bauer
SciPost Phys. Core 2, 2 (source code @ GitHub)
Cologne

"Hierarchy of energy scales in an O(3) symmetric antiferromagnetic quantum critical metal: a Monte Carlo study"
Carsten Bauer, Yoni Schattner, Simon Trebst, and Erez Berg
Phys. Rev. Research 2, 023008 (source code @ GitHub)
Cologne - Stanford - Weizmann

2019

"Machine Learning Transport Properties in Quantum Many-Fermion Simulations" (record entry)
Carsten Bauer, Simon Trebst
In NIC Symposium 2020, Vol. 50, pp. 85–92, Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
Cologne

2018

"Probing transport in quantum many-fermion simulations via quantum loop topography"
Yi Zhang, Carsten Bauer, Peter Broecker, Simon Trebst, and Eun-Ah Kim
Phys. Rev. B 99, 161120(R), Editors' Suggestion
Cologne - Cornell

2015

"Nonperturbative renormalization group calculation of quasiparticle velocity and dielectric function of graphene"
Carsten Bauer, Andreas Rückriegel, Anand Sharma, and Peter Kopietz
Phys. Rev. B 92, 121409(R)
Frankfurt

Master's thesis: "Quasi-particle velocity renormalization in graphene"
Invited talk @ University of Cologne: "Quasi-particle velocity renormalization in graphene"
Advisor: Prof. Dr. Peter Kopietz

2013

"Microwave-based tumor localization in moderate heterogeneous breast tissue"
Jochen Moll, Carsten Bauer, and Viktor Krozer
International Radar Symposium (Dresden, Germany), pp.877-884
Frankfurt


All preprints on arxiv.org

Contact

Feel free to email me, even if it's just to say hello!