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Giuseppe Carleo

@gppcarleo.bsky.social
847 followers 318 following 65 posts

Computational Quantum Physicist - EPFL Lausanne, Switzerland

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Giuseppe Carleo @gppcarleo.bsky.social · 26/09/2025
I have a new opening for several funded PHD positions in my group (the Computational Quantum Science Lab, at EPFL). If you are a talented, motivated student, please apply here www.epfl.ch/labs/cqsl/jo.... I am especially looking to hire in scientific ML applications/NQS; not in quantum computing.
epfl.ch
Job Opportunities at CQSL
At the Computational Quantum Science Lab we typically have several openings yearly (at the PhD/ Postdoc level). Applications are reviewed twice a year, at the beginning of April and at the beginning o...
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Giuseppe Carleo @gppcarleo.bsky.social · 24/09/2025
congratulazioni!
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Giuseppe Carleo @gppcarleo.bsky.social · 22/09/2025
Or you can go here neos-server.org/neos/solvers... and wait about 0.02 seconds for the problem to be solved exactly 😂
neos-server.org
NEOS Server: concorde
NEOS Server: concorde
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Giuseppe Carleo @gppcarleo.bsky.social · 27/08/2025
I am looking for a talented postdoc to join my group at EPFL, in Lausanne, Switzerland. Goal is to develop and apply state-of-the-art neural quantum states for electronic structure and related applications. Position to be filled soon, excellent conditions! Apply here: www.epfl.ch/labs/cqsl/jo...
epfl.ch
Job Opportunities at CQSL
At the Computational Quantum Science Lab we typically have several openings yearly (at the PhD/ Postdoc level). Applications are reviewed twice a year, at the beginning of April and at the beginning o...
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Reposted by Giuseppe Carleo
Joachim Favre @joachimfavre.bsky.social · 18/08/2025
I recently published the LaTeX notes I took in three amazing classes this semester: - Computational quantum physics (Prof. @gppcarleo.bsky.social) - Quantum information theory (Prof. @qzoeholmes.bsky.social) - Sublinear algorithms for big data analysis (Prof. Michael Kapralov) Link below👇
Two-panel drake meme, titled "Morris' algorithm be like".
Top panel: Drake looks away, disapprovingly, next to the legend "Counting to n in O(log n) space".
Bottom panel: Drake points approvingly at the legend "Counting to n in O(loglog n) space.
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Giuseppe Carleo @gppcarleo.bsky.social · 15/07/2025
New work with Douglas Hendry and Alessandro Sinibaldi: Grassmann Variational Monte Calro with neural wave functions arxiv.org/abs/2507.10287 This is a formalization and an extension (e.g. natural gradient descent-wise) of the nice excited-state framework for VMC developed by @davidpfau.com et al.
arxiv.org
Grassmann Variational Monte Carlo with neural wave functions
Excited states play a central role in determining the physical properties of quantum matter, yet their accurate computation in many-body systems remains a formidable challenge for numerical methods. W...
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Giuseppe Carleo @gppcarleo.bsky.social · 13/05/2025
Congrats Samuele for this nice work, it was a fun collaboration with IBM Zurich!
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Giuseppe Carleo @gppcarleo.bsky.social · 30/04/2025
Paper alert, this time on response functions obtained inverting the Lorentz Integral Transform, especially useful when there is an unbounded spectrum: "Nuclear responses with neural-network quantum states" arxiv.org/abs/2504.20195
arxiv.org
Nuclear responses with neural-network quantum states
We introduce a variational Monte Carlo framework that combines neural-network quantum states with the Lorentz integral transform technique to compute the dynamical properties of self-bound quantum man...
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Giuseppe Carleo @gppcarleo.bsky.social · 12/04/2025
The training framework is certainly important (for example one needs to use the "correct version" of SR in this case, but also the neural networks should be good enough to generalize. For Ising it definitely works with transformers ! arxiv.org/abs/2502.09488
arxiv.org
Foundation Neural-Network Quantum States
Foundation models are highly versatile neural-network architectures capable of processing different data types, such as text and images, and generalizing across various tasks like classification and g...
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Giuseppe Carleo @gppcarleo.bsky.social · 11/04/2025
A foundation NQS allows to reduce (by several orders of magnitude!!) the cost needed in QMC/Diffusion Monte Carlo calculations to span the same phase diagram (while achieving higher accuracy than DMC). We also include, at T=0, the full quantum wave functions for protons, beyond Born-Opp. (2/2)
arxiv.org
Universal neural wave functions for high-pressure hydrogen
We leverage the power of neural quantum states to describe the ground state wave function of solid and liquid dense hydrogen, including both electronic and protonic degrees of freedom. For static prot...
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Giuseppe Carleo @gppcarleo.bsky.social · 11/04/2025
Ab-initio preprint: we study high-pressure hydrogen over a relatively large range of pressures and temperatures (in the Born-Opp. approx.). Crucially, we do it with a **single** wave function for all values of proton configurations. Effort led by my PHD David Linteau, arxiv.org/abs/2504.07062 (1/2)
arxiv.org
Universal neural wave functions for high-pressure hydrogen
We leverage the power of neural quantum states to describe the ground state wave function of solid and liquid dense hydrogen, including both electronic and protonic degrees of freedom. For static prot...
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Giuseppe Carleo @gppcarleo.bsky.social · 26/03/2025
Nice work!
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Reposted by Giuseppe Carleo
Frank Noe @franknoe.bsky.social · 26/03/2025
Simulating full quantum mechanical ground- and excited state surfaces with deep quantum Monte Carlo by Zeno Schätzle, Bernat Szabo and Alice Cuzzocrea. arxiv.org/abs/2503.19847 🧵⬇️
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Giuseppe Carleo @gppcarleo.bsky.social · 20/03/2025
Read the full preprint here: arxiv.org/abs/2503.14502 5/5​
arxiv.org
Precise Quantum Chemistry calculations with few Slater Determinants
Slater determinants have underpinned quantum chemistry for nearly a century, yet their full potential has remained challenging to exploit. In this work, we show that a variational wavefunction compose...
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Giuseppe Carleo @gppcarleo.bsky.social · 20/03/2025
Our approach surpasses all second-quantized NQS results for molecules published so far, despite being a much simpler ansatz conceptually. This suggests that for small to intermediate molecules, fully correlated wave functions might not be necessary. 4/5​
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Giuseppe Carleo @gppcarleo.bsky.social · 20/03/2025
Using optimized contractions, our method scales computational cost with the fourth power of the number of basis functions. Benchmarking against exact full-configuration interaction results, we achieved lower variational energies than CCSD(T) for several molecules in the double-zeta basis. 3/5​
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Giuseppe Carleo @gppcarleo.bsky.social · 20/03/2025
While this ansatz is as old as quantum chemistry, fully optimizing it has been challenging. Our innovation lies in efficiently optimizing the determinants by leveraging the quadratic dependence of energy on selected parameters, allowing for exact optimization. 2/5​
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Giuseppe Carleo @gppcarleo.bsky.social · 20/03/2025
​Excited to share our latest quantum chemistry preprint led by Clemens Giuliani. We employ a "simple" variational wavefunction composed of a few hundred optimized non-orthogonal Slater determinants, achieving energy accuracies comparable to state-of-the-art methods. arxiv.org/abs/2503.14502 1/5​
Energy differences with respect to CCSD(T) in the cc-pVDZ basis set. The shaded area indicates results within chemical accuracy (1 kcal/mol) from FCI/DMRG, and the hatched area from CCSD(T). The molecules are ordered w.r.t increasing number of electrons, grouping those with equal numbers together. For those marked with * we employed a particle-hole transformation.
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Giuseppe Carleo @gppcarleo.bsky.social · 20/03/2025
At #APS2025, our lab presented 8 innovative studies spanning quantum-classical hybrid simulations, neural-network quantum states, quantum dynamics, and quantum chemistry. Read the highlights of our contributions here! actu.epfl.ch/news/computa... #APSsummit
actu.epfl.ch
Computational Quantum Science Lab at the APS Global Physics Summit
At this year's APS Global Physics Summit in Anaheim, the Computational Quantum Science Lab showcased several contributions, spanning quantum dynamics, neural-network methodologies, topological quantum...
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
right...
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
In the absence of a community consensus on what it really means to obtain quantum advantage over **all possible** classical methods, why keep stirring controversy instead of stating that advantage is over some X or Y classical numerical methods "only"?(2/2)
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
If it wasn't clear enough already that I have nothing against the results of Dwave, and others, read this: www.scientificamerican.com/article/are-... The problem is not the results, it's the way they are presented, and how they are perceived more broadly. (1/2)
scientificamerican.com
How Scientists, Publishers and Investors Create Quantum Hype
D-Wave’s fresh claim that it has achieved “quantum advantage” has sparked criticism of the company—and of the scientific process itself
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
I am insinuating nothing. the preprint is pretty clear we analyze the diamond geometry. we will provide more geometries soon, but the burden of proof that you can beat "all classical methods" is on your side, since you decided to make this questionable (cynical?!) claim in the first place.
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
we compared against ground truth computed with MPS at the largest scale you provided, and also against your own experiment at the scale where mps was not available... I'm not sure what your remark is about
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
If they are easy as you suggest, why you claimed they would take ~200 years on one of the largest supercomputers available ? I'm confused.
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
in our article and also in the interview with NS I have always stated there is a running time advantage by the experiment. that's not at all the point. the point is that it's not a million years advantage, it's much smaller.
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
I agree the new scientist article could have been written better.
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
We will add more cases and sizes, but this already tells you that those estimates of millions years or so do not hold, and should not be used to conclude about s****macy.
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Giuseppe Carleo @gppcarleo.bsky.social · 13/03/2025
The dwave paper estimates classical computation time based on extrapolations of tensor network calculations on smaller systems. We have done a simulation they were estimating it would take 200 years or so on one of the largest clusters available.
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Reposted by Giuseppe Carleo
Dulwich Quantum Computing @dulwichquantum.bsky.social · 12/03/2025
Summary of the situation so far.
Assassination chain meme with the following captions:
* D-Wave claims quantum supremacy arXiv:2403.00910
* tensor networks arXiv:2503.05693
* variational Monte Carlo arXiv:2503.08247
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Giuseppe Carleo @gppcarleo.bsky.social · 12/03/2025
👏 congrats !
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Giuseppe Carleo @gppcarleo.bsky.social · 12/03/2025
We had to rush this out, because of the tree-tensor network pre-print just appeared online, but in the next few days we will upload simulations up to the million years frontier of the Dwave paper. (4/4)
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Giuseppe Carleo @gppcarleo.bsky.social · 12/03/2025
In a nutshell, if your classical ansatz is not entanglement-limited, you can simulate systems that were originally estimated to take around 200 years on the largest supercomputer available. (3/4)
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Giuseppe Carleo @gppcarleo.bsky.social · 12/03/2025
Our findings are in line with the other pre-print from that just came out, by Miles Stoudenmire and coworkers at CCQ/Flatiron, but we use a very different classical simulation technique (we use tdvp-jastrow states, whereas they use tree tensor networks.) (2/4)
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Giuseppe Carleo @gppcarleo.bsky.social · 12/03/2025
We provide a classical simulation of DWave quantum "s-word" paper. Here it is arxiv.org/abs/2503.08247 , great work by Linda Mauron at the CQS Lab, check it out! (1/4)
arxiv.org
Challenging the Quantum Advantage Frontier with Large-Scale Classical Simulations of Annealing Dynamics
Recent demonstrations of D-Wave's annealing-based quantum simulators have established new benchmarks for quantum computational advantage [arXiv:2403.00910]. However, the precise location of the classi...
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Giuseppe Carleo @gppcarleo.bsky.social · 21/02/2025
Spot the problem(s): you have a numerical technique A for quantum systems that is not variational, you apply it to system X, then compare it to a variational method B previously applied to system Y and you extrapolate it to X. Then, you claim that method B has lower energies than A!
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Reposted by Giuseppe Carleo
Gian Gentinetta @gentinetta.bsky.social · 20/02/2025
New paper out! We introduce a hybrid approach of simulating quantum dynamics where we use a classically 💻 parameterized function to correct approximate Trotterized time-evolution ⚛️ circuits. arxiv.org/abs/2502.13784 🧵1/6
arxiv.org
Correcting and extending Trotterized quantum many-body dynamics
A complex but important challenge in understanding quantum mechanical phenomena is the simulation of quantum many-body dynamics. Although quantum computers offer significant potential to accelerate th...
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Giuseppe Carleo @gppcarleo.bsky.social · 17/02/2025
Huge thanks to A. Sinibaldi for leading this work, and our brilliant SISSA collaborators A. Mello & M. Collura. Their insights were instrumental in these breakthrough results! 🙌 (4/4)
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Giuseppe Carleo @gppcarleo.bsky.social · 17/02/2025
An interesting open question is whether NQS can saturate the magic and recover the value of Haar random states (I speculate, they can, but no proof yet!) (3/4)
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Giuseppe Carleo @gppcarleo.bsky.social · 17/02/2025
Why this matters: Magic & entanglement independently measure classical simulation difficulty. We prove NQS aren't constrained by either - opening doors to measuring magic in complex higher-dimensional systems with volume-law scaling! 🚀(2/4)
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Giuseppe Carleo @gppcarleo.bsky.social · 17/02/2025
The magic 🪄 of Neural Quantum states, our paper : arxiv.org/abs/2502.09725 We introduce two general strategies to compute stabilizer Renyi entropies with NQS/ variational Monte Carlo. Magic is one of the measures often used to quantify how hard it is to classically simulate a quantum system. (1/4)
arxiv.org
Non-stabilizerness of Neural Quantum States
We introduce a methodology to estimate non-stabilizerness or "magic", a key resource for quantum complexity, with Neural Quantum States (NQS). Our framework relies on two schemes based on Monte Carlo ...
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Giuseppe Carleo @gppcarleo.bsky.social · 14/02/2025
Most importantly, you can download these models for free and have state-of-the-art pre trained wave functions that work on many problems ! huggingface.co/nqs-models Many thanks to Luciano Viteritti of EPFL and Riccardo Rende of SISSA for taking this to the finish line and for the hard work. (5/5)
huggingface.co
nqs-models (NQS Models)
Org profile for NQS Models on Hugging Face, the AI community building the future.
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Giuseppe Carleo @gppcarleo.bsky.social · 14/02/2025
In the case of disordered models P(gamma) is naturally the distribution over disorder, however it can be anything meaningful, for example the distribution of couplings in a generalized long-range Heisenberg model or even the lattice structure underlying a given hamiltonian. (4/5)
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Giuseppe Carleo @gppcarleo.bsky.social · 14/02/2025
The general idea is to minimize the ensemble energy over a suitable distribution of Hamiltonian parameters P(gamma). The wave function (a transformer) depends on the Hamiltonian, and generalizes across many instances of different Hamiltonians. We give a version of SR specialized for this task (3/5)
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Giuseppe Carleo @gppcarleo.bsky.social · 14/02/2025
These models allows for applications that are hard to do with the standard framework, e.g.: 1. Automatic ensemble averages for hamiltonians with disorder 2. Computing fidelity susceptibility for automatic, and from first-principles, detection of phase transitions 3. Fine tuning of models (2/5)
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Giuseppe Carleo @gppcarleo.bsky.social · 14/02/2025
Our work on Foundation Neural Quantum States finally out: arxiv.org/abs/2502.09488. These are generalized NQS that work for many hamiltonians: think of a general solver working for many ground-state problems! Pre-trained models ready for fine tuning are available here huggingface.co/nqs-models (1/5)
arxiv.org
Foundation Neural-Network Quantum States
Foundation models are highly versatile neural-network architectures capable of processing different data types, such as text and images, and generalizing across various tasks like classification and g...
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Giuseppe Carleo @gppcarleo.bsky.social · 27/01/2025
Looking for a talented postdoc to join my group (the Computational Quantum Science Lab) at EPFL, in Lausanne 🇨🇭 Research Topics Include: Neural Quantum States, Many-Body Systems, Ab-Initio & Quantum Chemistry...etc Start: Fall 2025, excellent conditions Apply: www.epfl.ch/labs/cqsl/jo...
epfl.ch
Job Opportunities at CQSL
At the Computational Quantum Science Lab we typically have several openings yearly (at the PhD/ Postdoc level). Applications are reviewed twice a year, at the beginning of April and at the beginning o...
0259
Giuseppe Carleo @gppcarleo.bsky.social · 14/01/2025
I accidentally read "a panel for the AI winter" 🤣
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Giuseppe Carleo @gppcarleo.bsky.social · 13/01/2025
For the french-speaking friends: an article in @lemonde.fr "AI versus quantum computing : a very physical fight!" also featuring excerpts from an interview I had with David Larousserie www.lemonde.fr/sciences/art...
lemonde.fr
IA versus ordinateur quantique : un combat très physique
Dans la course à la résolution des problèmes fondamentaux de physique et de chimie, l’intelligence artificielle et l’informatique quantique sont les deux champions en lice. Pour mieux en comprendre le...
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Giuseppe Carleo @gppcarleo.bsky.social · 05/01/2025
5 minuti una volta alla settimana
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