Publications (110)
Hilbert space signatures of non-ergodic glassy dynamics
Aleksey Lunkin, Nicole S. Ticea, Shashwat Kumar +292
How to correct Ehrenfest nonadiabatic dynamics in open quantum systems: Ehrenfest plus random force (E) dynamics
Jingqi Chen, Joonho Lee, Wenjie Dou
Structure and dynamics of electron-phonon coupled systems using neural quantum states
Ankit Mahajan, Paul J. Robinson, Joonho Lee +1
Ab Initio Polaron Wave Functions
Paul J. Robinson, Joonho Lee, Ankit Mahajan +1
Quantum simulation of exact electron dynamics can be more efficient than classical mean-field methods
Ryan Babbush, William J. Huggins, Dominic W. Berry +6
Unbiasing Fermionic Quantum Monte Carlo with a Quantum Computer
William J. Huggins, Bryan A. O'Gorman, Nicholas C. Rubin +3
Resolving the Body-Order Paradox of Machine Learning Interatomic Potentials
Sanggyu Chong, Tong Jiang, Michelangelo Domina +4
Evaluation of Constrained Reinforcement Learning Algorithms for Legged Locomotion
Joonho Lee, Lukas Schroth, Victor Klemm +3
Learning-augmented robotic automation for real-world manufacturing
Yunho Kim, Quan Nguyen, Taewhan Kim +2
Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation
Joonho Lee, William J. Huggins, Martin Head-Gordon +1
Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures
Tong Jiang, Moritz K. A. Baumgarten, Pierre-François Loos +6
Condensed-Phase Quantum Chemistry
Paul J. Robinson, Adam Rettig, Hieu Q. Dinh +2
Regularized Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory: A Reliable Fifth-Order Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers
Joonho Lee, Martin Head-Gordon
Learning-based legged locomotion; state of the art and future perspectives
Sehoon Ha, Joonho Lee, Michiel van de Panne +3
Response to "Exponential challenges in unbiasing quantum Monte Carlo algorithms with quantum computers"
Joonho Lee, David R. Reichman, Ryan Babbush +4
A Kinematic Analysis of Palm Degrees of Freedom for Enhancing Thumb Opposability in Robotic Hands
HyoJae Kang, Yeong Jae Park, Hyunmok Jung +2
Quantum Simulation of Realistic Materials in First Quantization Using Non-local Pseudopotentials
Dominic W. Berry, Nicholas C. Rubin, Ahmed O. Elnabawy +5
Solving Multi-Entity Robotic Problems Using Permutation Invariant Neural Networks
Tianxu An, Joonho Lee, Marko Bjelonic +2
Measurement-induced entanglement and teleportation on a noisy quantum processor
Jesse C. Hoke, Matteo Ippoliti, Eliott Rosenberg +160
Circus ANYmal: A Quadruped Learning Dexterous Manipulation with Its Limbs
Fan Shi, Timon Homberger, Joonho Lee +6
Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma
Joonho Lee, Luke W. Bertels, Martin Head-Gordon
Reliably assessing the electronic structure of cytochrome P450 on today's classical computers and tomorrow's quantum computers
Joshua J. Goings, Alec White, Joonho Lee +6
A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo
John L. Weber, Hung Vuong, Pierre A. Devlaminck +4
Noise-resilient Edge Modes on a Chain of Superconducting Qubits
Xiao Mi, Michael Sonner, Murphy Yuezhen Niu +125
Ab Initio Auxiliary-Field Quantum Monte Carlo in the Thermodynamic Limit
Jinghong Zhang, Meng-Fu Chen, Adam Rettig +5
Regularized Perturbation Theory for Ab initio Solids
Meng-Fu Chen, Jinghong Zhang, Hieu Q. Dinh +2
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach
Juan E. Arias-Martinez, Leonardo A. Cunha, Katherine J. Oosterbaan +2
The performance of phaseless auxiliary-field quantum Monte Carlo on the ground state electronic energy of benzene
Joonho Lee, Fionn D. Malone, David R. Reichman
Is there evidence for exponential quantum advantage in quantum chemistry?
Seunghoon Lee, Joonho Lee, Huanchen Zhai +15
Advanced Skills through Multiple Adversarial Motion Priors in Reinforcement Learning
Eric Vollenweider, Marko Bjelonic, Victor Klemm +3
CERBERUS: Autonomous Legged and Aerial Robotic Exploration in the Tunnel and Urban Circuits of the DARPA Subterranean Challenge
Marco Tranzatto, Frank Mascarich, Lukas Bernreiter +38
Exploring Spin Symmetry-Breaking Effects for Static Field Ionization of Atoms: Is There an Analog to the Coulson-Fischer Point in Bond Dissociation?
Leonardo A. Cunha, Joonho Lee, Diptarka Hait +2
Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency Prediction
Luke W. Bertels, Joonho Lee, Martin Head-Gordon
Matchgate Shadows for Fermionic Quantum Simulation
Kianna Wan, William J. Huggins, Joonho Lee +1
Rethinking Robustness Assessment: Adversarial Attacks on Learning-based Quadrupedal Locomotion Controllers
Fan Shi, Chong Zhang, Takahiro Miki +3
Strategic Plan for Neutral Atom Quantum Computation
Adrian J. Menssen, Tout Wang, Michael Gullans +54
Even Faster Exact Exchange for Solids via Tensor Hypercontraction
Adam Rettig, Joonho Lee, Martin Head-Gordon
Third-Order Møller-Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics and Intermolecular Interactions
Luke W. Bertels, Joonho Lee, Martin Head-Gordon
Efficient All-Electron Periodic Fourier-Transformed Coulomb Method
Hieu Q. Dinh, Adam Rettig, Xintian Feng +1
Time dependent second order Green's function theory for neutral excitations
Wenjie Dou, Joonho Lee, David R. Reichman +2
Virtual Distillation for Quantum Error Mitigation
William J. Huggins, Sam McArdle, Thomas E. O'Brien +6
Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions
Tong Jiang, Bryan O'Gorman, Ankit Mahajan +1
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C Fullerene and an Iron Porphyrin Model Complex
Joonho Lee, Fionn D. Malone, Miguel A. Morales
Walking through Hilbert Space with Quantum Computers
Tong Jiang, Jinghong Zhang, Moritz K. A. Baumgarten +6
Thermalization and Criticality on an Analog-Digital Quantum Simulator
Trond I. Andersen, Nikita Astrakhantsev, Amir H. Karamlou +224
Observation of disorder-free localization using a (2+1)D lattice gauge theory on a quantum processor
Gaurav Gyawali, Shashwat Kumar, Yuri D. Lensky +219
Non-Abelian braiding of graph vertices in a superconducting processor
Trond I. Andersen, Yuri D. Lensky, Kostyantyn Kechedzhi +166
Approaching the Basis Set Limit in Gaussian-Orbital-Based Periodic Calculations with Transferability: Performance of Pure Density Functionals for Simple Semiconductors
Joonho Lee, Xintian Feng, Leonardo A. Cunha +3
Unified Framework for Open Quantum Dynamics with Memory
Felix Ivander, Lachlan P. Lindoy, Joonho Lee
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
Norm M. Tubman, Joonho Lee, Tyler Y. Takeshita +2
Microscopic Theory of Multimode Polariton Dispersion in Multilayered Materials
Arkajit Mandal, Ding Xu, Ankit Mahajan +3
A Non-Perturbative Pairwise-Additive Analysis of Charge Transfer Contributions to Intermolecular Interaction Energies
Srimukh Prasad Veccham, Joonho Lee, Yuezhi Mao +2
A Non-Orthogonal Variational Quantum Eigensolver
William J. Huggins, Joonho Lee, Unpil Baek +2
Combining Learning-based Locomotion Policy with Model-based Manipulation for Legged Mobile Manipulators
Yuntao Ma, Farbod Farshidian, Takahiro Miki +2
ProbAct: A Probabilistic Activation Function for Deep Neural Networks
Kumar Shridhar, Joonho Lee, Hideaki Hayashi +6
Quantum computation of stopping power for inertial fusion target design
Nicholas C. Rubin, Dominic W. Berry, Alina Kononov +7
Learning to walk in confined spaces using 3D representation
Takahiro Miki, Joonho Lee, Lorenz Wellhausen +1
Observation of Time-Crystalline Eigenstate Order on a Quantum Processor
Xiao Mi, Matteo Ippoliti, Chris Quintana +102
What the foundations of quantum computer science teach us about chemistry
Jarrod R. McClean, Nicholas C. Rubin, Joonho Lee +5
Stochastic resolution of identity to CC2 for large systems: excited state properties
Chongxiao Zhao, Qi Ou, Joonho Lee +1
Constrained-Path Auxiliary-Field Quantum Monte Carlo for Coupled Electrons and Phonons
Joonho Lee, Shiwei Zhang, David R. Reichman
Learning robust perceptive locomotion for quadrupedal robots in the wild
Takahiro Miki, Joonho Lee, Jemin Hwangbo +3
Kinematic Optimization of Phalanx Length Ratios in Robotic Hands Using Potential Dexterity
HyoJae Kang, Joonho Lee, Jeongdo Ahn +1
Efficient quantum computation of molecular forces and other energy gradients
Thomas E. O'Brien, Michael Streif, Nicholas C. Rubin +12
An Auxiliary-Field Quantum Monte Carlo Perspective on the Ground State of the Dense Uniform Electron Gas: An Investigation with Hartree-Fock Trial Wavefunctions
Joonho Lee, Fionn D. Malone, Miguel A. Morales
DeepGait: Planning and Control of Quadrupedal Gaits using Deep Reinforcement Learning
Vassilios Tsounis, Mitja Alge, Joonho Lee +2
First-Principles Origins of Charge Transport in Molecular Semiconductors
Tong Jiang, Joonho Lee
A Kinematic Framework for Evaluating Pinch Configurations in Robotic Hand Design without Object or Contact Models
HyoJae Kang, Joonho Lee, Hyunmok Jung +1
Competing Generalized Wigner Crystal States in Moiré Heterostructures
Shu Fay Ung, Joonho Lee, David R. Reichman
Formation of robust bound states of interacting microwave photons
Alexis Morvan, Trond I. Andersen, Xiao Mi +147
Open-Shell Coupled-Cluster Valence-Bond Theory Augmented with an Independent Amplitude Approximation for Three-Pair Correlations: Application to a Model Oxygen-Evolving Complex and Single Molecular Magnet
Joonho Lee, David W. Small, Martin Head-Gordon
Machine learning potentials from transfer learning of periodic correlated electronic structure methods: Application to liquid water with AFQMC, CCSD, and CCSD(T)
Michael S. Chen, Joonho Lee, Hong-Zhou Ye +3
Making Many-Body Interactions Nearly Pairwise Additive: The Polarized Many-Body Expansion Approach
Srimukh Prasad Veccham, Joonho Lee, Martin Head-Gordon
Fault-tolerant quantum simulation of materials using Bloch orbitals
Nicholas C. Rubin, Dominic W. Berry, Fionn D. Malone +8
Learning-based Design and Control for Quadrupedal Robots with Parallel-Elastic Actuators
Filip Bjelonic, Joonho Lee, Philip Arm +4
Learning Quadrupedal Locomotion over Challenging Terrain
Joonho Lee, Jemin Hwangbo, Lorenz Wellhausen +2
Two Single-Reference Approaches to Singlet Biradicaloid Problems: Complex, Restricted Orbitals and Approximate Spin-Projection Combined With Regularized Orbital-Optimized Møller-Plesset Perturbation Theory
Joonho Lee, Martin Head-Gordon
Dynamics of magnetization at infinite temperature in a Heisenberg spin chain
Eliott Rosenberg, Trond Andersen, Rhine Samajdar +178
Stochastic Resolution-of-the-Identity Auxiliary-Field Quantum Monte Carlo: Scaling Reduction without Overhead
Joonho Lee, David R. Reichman
A Scalable Translationally Invariant Variational Theory of Ab Initio Polarons
Moritz K. A. Baumgarten, Hamlin Wu, Tong Jiang +1
Suppressing quantum errors by scaling a surface code logical qubit
Rajeev Acharya, Igor Aleiner, Richard Allen +154
Chemical Origins of Non-Bonded Interactions Within and Between Solids
Paul J. Robinson, Adam Rettig, Hieu Q. Dinh +2
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo
P. R. C. Kent, Abdulgani Annaberdiyev, Anouar Benali +21
Meta Reinforcement Learning for Optimal Design of Legged Robots
Ãlvaro Belmonte-Baeza, Joonho Lee, Giorgio Valsecchi +1
Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory
Joonho Lee, Lin Lin, Martin Head-Gordon
Molecular Mechanics Simulations and Improved Tight-binding Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy of Chromophores in a Protein Environment
Joonho Lee, Donghyun Lee, Aleksey Kocherzhenko +4
Reply to "Comment on "Unified Framework for Open Quantum Dynamics with Memory""
Felix Ivander, Lachlan P. Lindoy, Joonho Lee
Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overview and Assessment on Main Group Chemistry and Bond-Breaking
Joonho Lee, Hung Q. Pham, David R. Reichman
Compressing Many-Body Fermion Operators Under Unitary Constraints
Nicholas C. Rubin, Joonho Lee, Ryan Babbush
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set Limit
Joonho Lee, Adam Rettig, Xintian Feng +2
Seeing Through the Grass: Semantic Pointcloud Filter for Support Surface Learning
Anqiao Li, Chenyu Yang, Jonas Frey +3
Assessing the risk of recurrence in early-stage breast cancer through H&E stained whole slide images
Geongyu Lee, Joonho Lee, Tae-Yeong Kwak +4
Constructive interference at the edge of quantum ergodic dynamics
Dmitry A. Abanin, Rajeev Acharya, Laleh Aghababaie-Beni +262
ipie: A Python-based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs
Fionn D. Malone, Ankit Mahajan, James S. Spencer +1
Learning Fast, Tool aware Collision Avoidance for Collaborative Robots
Joonho Lee, Yunho Kim, Seokjoon Kim +2
Near-Exact Nuclear Gradients of Complete Active Space Self-Consistent Field Wave Functions
James E. T. Smith, Joonho Lee, Sandeep Sharma
Learning Robust Autonomous Navigation and Locomotion for Wheeled-Legged Robots
Joonho Lee, Marko Bjelonic, Alexander Reske +3
Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Joonho Lee, Sandeep Sharma
Learning agile and dynamic motor skills for legged robots
Jemin Hwangbo, Joonho Lee, Alexey Dosovitskiy +4
Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry
Anton Z. Ni, Adam Rettig, Joonho Lee