Jakob Günther's Avatar

Jakob Günther

@jakg.bsky.social

Spends time thinking about quantum computing and molecules. PhD-candidate. Also interested in fields of practical relevance, like climate science.

434 Followers  |  104 Following  |  8 Posts  |  Joined: 13.12.2023  |  1.6782

Latest posts by jakg.bsky.social on Bluesky

our work on a full state vector simulator based on Pauli rotations: arxiv.org/pdf/2504.17881
we observe a speed-up over other high-performance libraries by orders of magnitude! (Marek deserves all credit) Could be useful for benchmarking and testing of heuristic algorithms, source code is available

28.04.2025 13:43 — 👍 2    🔁 0    💬 0    📌 0

Yes please

02.12.2024 18:42 — 👍 1    🔁 0    💬 1    📌 0

cool stuff! As I understand you are not considering the error in operator norm but in terms of an expectation w.r.t. a state. That reminds me of adiabatic evolution, following some eigenstate along a time-dependent Hamiltonian. You don't mention that application, so maybe I am missing something?

29.10.2024 02:07 — 👍 0    🔁 0    💬 1    📌 0
More quantum chemistry with fewer qubits Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, mate...

A molecular model with N orbitals requires N qubits when mapped to a digital quantum computer - this becomes expensive for large active spaces. Our publication shows how to include more orbitals perturbatively without more qubits
journals.aps.org/prresearch/a... #quantumcomputing #compchem #physics

11.10.2024 15:00 — 👍 3    🔁 1    💬 1    📌 0

yea, specialised hardware for matrix manipulation accelerates matrix manipulations - they state a 80x speedup compared to a parallel CPU implementation. There's no algorithmic improvement that changes the asymptotic scaling with bond dimension or number of sites.

22.09.2024 15:27 — 👍 1    🔁 0    💬 1    📌 0
Preview
Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node We report cutting edge performance results on a single node hybrid CPU-multi-GPU implementation of the spin adapted ab initio Density Matrix Renormalization Group (DMRG) method on current state-of-the...

Quantum chemical systems that are challenging for classical methods and therefore have been presented as targets for quantum computers (for example the poster child FeMoco) are getting in reach of DMRG methods:
pubs.acs.org/doi/10.1021/...
#compchemsky #quantumcomputing #physics 🧪

21.09.2024 18:10 — 👍 14    🔁 2    💬 1    📌 0
People – University of Copenhagen

Hi, could you add me to the list? I am a PhD-student in quantum physics in Copenhagen: qmath.ku.dk/staff/

19.09.2024 18:52 — 👍 2    🔁 0    💬 1    📌 0
Preview
Classification of electronic structures and state preparation for... Quantum computation for chemical problems will require the construction of guiding states with sufficient overlap with a target state. Since easily available and initializable mean-field states...

Recent upload on the overlap issue for computing molecular ground state energies on a quantum computer: arxiv.org/abs/2409.08910
The use of orbital-entropies definitely brings more insight into the debate (remember www.nature.com/articles/s41...)

#quantumcomputing #physics #compchem #quantum 🧪⚛️

19.09.2024 03:51 — 👍 3    🔁 0    💬 1    📌 0
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Wir haben vor wenigen Tagen die 1,5-Grad-Grenze überschritten. Im Februar 2024. Uns allen muss klar sein, dass das kein Weckruf mehr ist, keine theoretische Gefahr. Für Freiheit, Sicherheit und Wohlstand von uns allen ist das, was diese Grafik zeigt, eine akute Existenzbedrohung.

24.02.2024 19:33 — 👍 451    🔁 221    💬 18    📌 10

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