290 citations · 503 across the 22 of their papers we have counts for
22 papers
Signature of Short-Range Order in Static Response of the Three-Dimensional Electron Gas
Muhammed H. Güneş, Yubo Yang, Vitaly Gorelov +4
The three-dimensional electron gas is a fundamental model in condensed matter physics and quantum chemistry, and the exchange-correlation energy derived from it serves as the start…
Neural Network Discovery of Paired Wigner Crystals in Artificial Graphene
Conor Smith, Yubo Yang, Zhou-Quan Wan +3
Moiré systems have emerged as an exciting tunable platform for engineering and probing quantum matter. A large number of exotic states have been observed, stimulating intense effor…
Quantum Geometry Driven Crystallization: A Neural-Network Variational Monte Carlo Study
Agnes Valenti, Yaar Vituri, Yubo Yang +7
Wigner crystals are a paradigmatic form of interaction driven electronic order. A key open question is how Berry curvature and, more generally, quantum geometry reshape crystalliza…
Visualizing the Impact of Quenched Disorder on 2D Electron Wigner Solids
Zhehao Ge, Conor Smith, Zehao He +17
Electron Wigner solids (WSs)1-12 provide an ideal system for understanding the competing effects of electron-electron and electron-disorder interactions, a central unsolved problem…
Probing the Critical Point (CritPt) of AI Reasoning: a Frontier Physics Research Benchmark
Minhui Zhu, Minyang Tian, Xiaocheng Yang +61
While large language models (LLMs) with reasoning capabilities are progressing rapidly on high-school math competitions and coding, can they reason effectively through complex, ope…
Engineering Hubbard models with gated two-dimensional moiré systems
Yiqi Yang, Yubo Yang, Miguel A. Morales +1
Lattice models are powerful tools for studying strongly correlated quantum many-body systems, but their general lack of exact solutions motivates efforts to simulate them in tunabl…
Critical gate distance for Wigner crystallization in the two-dimensional electron gas
Agnes Valenti, Vladimir Calvera, Yubo Yang +4
We report on the properties of the two-dimensional electron gas in a dual-gate geometry, using quantum Monte Carlo methods to obtain aspects of the phase diagram as a function of e…
The liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential
Mathieu Istas, Scott Jensen, Yubo Yang +3
We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional t…
High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo
Shubhang Goswami, Scott Jensen, Yubo Yang +3
We present results and discuss methods for computing the melting temperature of dense molecular hydrogen using a machine learned model trained on quantum Monte Carlo data. In this…
The two-dimensional homogeneous electron gas with symmetric dual-gate screening: exchange-correlation functional and other ground-state properties
Yiqi Yang, Yubo Yang, Kun Chen +2
The two-dimensional (2D) homogeneous electron gas (HEG) is a fundamental model in quantum many-body physics. It is important to theoretical and computational studies, where exchang…
Ferromagnetic semimetal and charge-density wave phases of interacting electrons in a honeycomb moiré potential
Yubo Yang, Miguel A. Morales, Shiwei Zhang
The exploration of quantum phases in moiré systems has drawn intense experimental and theoretical efforts. The realization of honeycomb symmetry has been a recent focus. The combin…
Ground state phases of the two-dimension electron gas with a unified variational approach
Conor Smith, Yixiao Chen, Ryan Levy +3
The two-dimensional electron gas (2DEG) is a fundamental model, which is drawing increasing interest because of recent advances in experimental and theoretical studies of 2D materi…
Observation of an electronic microemulsion phase emerging from a quantum crystal-to-liquid transition
Jiho Sung, Jue Wang, Ilya Esterlis +14
Strongly interacting electronic systems possess rich phase diagrams resulting from the competition between different quantum ground states. A general mechanism that relieves this f…
Training models using forces computed by stochastic electronic structure methods
David M. Ceperley, Scott Jensen, Yubo Yang +3
Quantum Monte Carlo (QMC) can play a very important role in generating accurate data needed for constructing potential energy surfaces. We argue that QMC has advantages in terms of…
Metal-insulator transition in transition metal dichalcogenide heterobilayer: accurate treatment of interaction
Yubo Yang, Miguel Morales, Shiwei Zhang
Transition metal dichalcogenide superlattices provide an exciting new platform for exploring and understanding a variety of phases of matter. The moiré continuum Hamiltonian, of tw…
Neutral band gap of carbon by quantum Monte Carlo methods
V. Gorelov, Y. Yang, M. Ruggeri +3
We present a method of calculating the energy gap of a charge-neutral excitation using only ground-state calculations. We report Quantum Monte Carlo calculations of …
Stable solid molecular hydrogen above 900K from a machine-learned potential trained with diffusion Quantum Monte Carlo
Hongwei Niu, Yubo Yang, Scott Jensen +3
We survey the phase diagram of high-pressure molecular hydrogen with path integral molecular dynamics using a machine-learned interatomic potential trained with Quantum Monte Carlo…
Quantum Monte Carlo Compton profiles of solid and liquid lithium
Yubo Yang, Nozomu Hiraoka, Kazuhiro Matsuda +2
We computed the Compton profile of solid and liquid lithium using quantum Monte Carlo (QMC) and compared with recent experimental measurements obtaining good agreement. Importantly…
Electronic band gaps from Quantum Monte Carlo methods
Yubo Yang, Vitaly Gorelov, Carlo Pierleoni +2
We develop a method for calculating the fundamental electronic gap of semiconductors and insulators using grand canonical Quantum Monte Carlo simulations. We discuss the origin of…
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms,…
Interpolated wave functions for nonadiabatic simulations with the fixed-node quantum Monte Carlo method
Norm Tubman, Yubo Yang, Sharon Hammes-Schiffer +1
Simulating nonadiabatic effects with many-body wave function approaches is an open field with many challenges. Recent interest has been driven by new algorithmic developments and i…
How Large are Nonadiabatic Effects in Atomic and Diatomic Systems?
Yubo Yang, Ilkka Kylanpaa, Norm Tubman +3
With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond ze…