Harvard University
Chemistry

Recent papers

Time-tagged ticker tapes for intracellular recordings
Nature Biotechnology 2023.
Molecular and spatial signatures of mouse brain aging at single-cell resolution
Cell 2023, 186 (1).
Suppressing quantum errors by scaling a surface code logical qubit
Nature 2023, 614 (7949), 676–681.
Reversible C−C Bond Cleavage of a Cobalt Diketimide into an Elusive Cobalt Aryl Nitrenoid Complex
Angewandte Chemie - International Edition 2022.
High-Spin Superatom Stabilized by Dual Subshell Filling
Journal of the American Chemical Society 2022, 144 (11), 5172–5179.
Gradient Droplet Arrays by Acceleration-Mode Dip-Coating
Advanced Materials Interfaces 2022.
Highly Ordered Inverse Opal Structures Synthesized from Shape-Controlled Nanocrystal Building Blocks
Angewandte Chemie - International Edition 2022, 61 (3).
Evaporation-Induced Self-Assembly of Metal Oxide Inverse Opals: From Synthesis to Applications
Accounts of Chemical Research 2022, 55 (13), 1809–1820.
Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys
Journal of Physical Chemistry C 2022, 126 (37), 15710–15723.
Atomic-Scale STEM Analysis Shows Structural Changes of Au-Pd Nanoparticles in Various Gaseous Environments
Journal of Physical Chemistry C 2022, 126 (42), 18047–18056.
Spiropyran Photoisomerization Dynamics in Multiresponsive Hydrogels
Journal of the American Chemical Society 2022, 144 (1), 219–227.
Patterned crystal growth and heat wave generation in hydrogels
Nature Communications 2022, 13 (1).
Decoding reactive structures in dilute alloy catalysts
Nature Communications 2022, 13 (1).
Self-regulated non-reciprocal motions in single-material microstructures
Nature 2022, 605 (7908), 76–83.
On the mechanism of marine fouling-prevention performance of oil-containing silicone elastomers
Scientific Reports 2022, 12 (1).
Mapping blood biochemistry by Raman spectroscopy at the cellular level
Chemical Science 2022, 13 (1), 133–140.
Control over emergence and alignment of transient blisters in thermo-responsive gels using hierarchically patterned substrates
Soft Matter 2022.
Wettability-based ultrasensitive detection of amphiphiles through directed concentration at disordered regions in self-assembled monolayers
Proceedings of the National Academy of Sciences of 2022, 119 (43).
Bioinspired design and optimization for thin film wearable and building cooling systems
Bioinspiration and Biomimetics 2022, 17 (1).
Elucidating the Chemistry and Biology of the Human Microbiome
Biochemistry 2022, 61 (24), 2777–2778.
Biosynthesis of the Unusual Carbon Skeleton of Nocuolin A
ACS Chemical Biology 2022, 17 (9), 2528–2537.
Mechanistic Studies of a Skatole-Forming Glycyl Radical Enzyme Suggest Reaction Initiation via Hydrogen Atom Transfer
Journal of the American Chemical Society 2022, 144 (25), 11110–11119.
Genetic manipulation of the human gut bacterium Eggerthella lenta reveals a widespread family of transcriptional regulators
Nature Communications 2022, 13 (1).
Cysteine dependence of Lactobacillus iners is a potential therapeutic target for vaginal microbiota modulation
Nature Microbiology 2022, 7 (3), 434–450.
The bacterial toxin colibactin triggers prophage induction
Nature 2022, 603 (7900), 315–320.
Structural basis of colibactin activation by the ClbP peptidase
Nature Chemical Biology 2022.
A small molecule inhibitor prevents gut bacterial genotoxin production
Nature Chemical Biology 2022.
Structurally investigating a niche pathway for chemical reversal of proline hydroxylation in the pathogen Clostridioides difficile
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2022, 36.
The Stickland Reaction Precursor trans-4-Hydroxy-L-Proline Differentially Impacts the Metabolism of Clostridioides difficile and Commensal Clostridia
mSphere 2022, 7 (2).
Emerging Chemical Diversity and Potential Applications of Enzymes in the DMSO Reductase Superfamily
Annual Review of Biochemistry 2022, 91, 475–504.
Structural Basis for an Unprecedented Enzymatic Alkylation in Cylindrocyclophane Biosynthesis
eLife 2022, 11.
Voltage imaging identifies spinal circuits that modulate locomotor adaptation in zebrafish
Neuron 2022, 110 (7).
Observation of topological action potentials in engineered tissues
Nature Physics 2022.
Neuronal activity drives pathway-specific depolarization of peripheral astrocyte processes
Nature Neuroscience 2022, 25 (5), 607–616.
Membrane tension propagation couples axon growth and collateral branching
Science Advances 2022, 8 (35).
Dendritic branch structure compartmentalizes voltage-dependent calcium influx in cortical layer 2/3 pyramidal cells
eLife 2022, 11.
Comment on “STM study of the (111) and (100) surfaces of PdAg, Surf. Sci. 417 (1998) 292–300″ and references therein
Surface Science 2022, 720.
Creation of Well-Defined Pd Surface Sites on Single Crystal Pd 33 Ag 67 : From Ensembles to Single Atoms
Journal of Physical Chemistry C 2022.
Exploiting the Liquid Phase to Enhance the Cross-Coupling of Alcohols over Nanoporous Gold Catalysts
ACS Catalysis 2022, 12 (1), 183–192.
Hydrogen Dissociation Controls 1-Hexyne Selective Hydrogenation on Dilute Pd-in-Au Catalysts
ACS Catalysis 2022.
Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti-Cu Catalysts
Journal of the American Chemical Society 2022, 144 (37), 16778–16791.
Synthesis and Characterization of Core-Shell Cu-Ru, Cu-Rh, and Cu-Ir Nanoparticles
Journal of the American Chemical Society 2022, 144 (17), 7919–7928.
Toward benchmarking theoretical computations of elementary rate constants on catalytic surfaces: Formate decomposition on Au and Cu
Chemical Science 2022, 13 (3), 804–815.
Coherent charge carrier dynamics in the presence of thermal lattice vibrations
Physical Review B 2022, 106 (5).
Bragg Scattering from a Random Potential
Physical Review Letters 2022, 128 (20).
Andreas Pfaltz, Inspiration and Friend
Advanced Synthesis and Catalysis 2022, 364 (19), 3324–0.
Evidence for Oxonium Ions in Ethereal "hydrogen Chloride"
Organic Letters 2022, 24 (48), 8826–8831.
Exploring Structure-Function Relationships of Aryl Pyrrolidine-Based Hydrogen-Bond Donors in Asymmetric Catalysis Using Data-Driven Techniques
ACS Catalysis 2022.
Chloride-Mediated Alkene Activation Drives Enantioselective Thiourea and Hydrogen Chloride Co-Catalyzed Prins Cyclizations
Journal of the American Chemical Society 2022.
Site-selective, stereocontrolled glycosylation of minimally protected sugars
Nature 2022, 608 (7921), 74–79.
Screening for generality in asymmetric catalysis
Nature 2022, 610 (7933), 680–686.
Enantioselective hydrogen-bond-donor catalysis to access diverse stereogenic-at-P(V) compounds
Science 2022, 376 (6598), 1230–1236.
Genetic approaches to improve clorobiocin production in Streptomyces roseochromogenes NRRL 3504
Applied Microbiology and Biotechnology 2022, 106 (4), 1543–1556.
CRISPR-Suppressor Scanning for Systematic Discovery of Drug-Resistance Mutations
Current Protocols 2022, 2 (12).
Polycomb-lamina antagonism partitions heterochromatin at the nuclear periphery
Nature Communications 2022, 13 (1).
Base editor scanning charts the DNMT3A activity landscape
Nature Chemical Biology 2022.
Engineered virus-like particles for efficient in vivo delivery of therapeutic proteins
Cell 2022, 185 (2).
Therapeutic in vivo delivery of gene editing agents
Cell 2022, 185 (15), 2806–2827.
Disruption of HIV-1 co-receptors CCR5 and CXCR4 in primary human T cells and hematopoietic stem and progenitor cells using base editing
Molecular Therapy 2022, 30 (1), 130–144.
In vivo base editing rescues cone photoreceptors in a mouse model of early-onset inherited retinal degeneration
Nature Communications 2022, 13 (1).
Generating experimentally unrelated target molecule-binding highly functionalized nucleic-acid polymers using machine learning
Nature Communications 2022, 13 (1).
Compact zinc finger base editors that edit mitochondrial or nuclear DNA in vitro and in vivo
Nature Communications 2022, 13 (1).
Efficient in vivo base editing via single adeno-associated viruses with size-optimized genomes encoding compact adenine base editors
Nature Biomedical Engineering 2022, 6 (11), 1272–1283.
Publisher Correction: Efficient in vivo base editing via single adenoassociated viruses with size-optimized genomes encoding compact adenine base editors (Nature Biomedical Engineering, (2022), 10.103
Nature Biomedical Engineering 2022.
Prime editing for precise and highly versatile genome manipulation
Nature Reviews Genetics 2022.
Engineered pegRNAs improve prime editing efficiency
Nature Biotechnology 2022, 40 (3), 402–410.
Author Correction: Engineered pegRNAs improve prime editing efficiency (Nature Biotechnology, (2022), 40, 3, (402-410), 10.1038/s41587-021-01039-7)
Nature Biotechnology 2022, 40 (3), 432–0.
CRISPR-free base editors with enhanced activity and expanded targeting scope in mitochondrial and nuclear DNA
Nature Biotechnology 2022.
High-throughput continuous evolution of compact Cas9 variants targeting single-nucleotide-pyrimidine PAMs
Nature Biotechnology 2022.
Evolution of an adenine base editor into a small, efficient cytosine base editor with low off-target activity
Nature Biotechnology 2022.
Prioritization of autoimmune disease-associated genetic variants that perturb regulatory element activity in T cells
Nature Genetics 2022, 54 (5), 603–612.
Discovery and molecular basis of subtype-selective cyclophilin inhibitors
Nature Chemical Biology 2022, 18 (11), 1184–1195.
Designing and executing prime editing experiments in mammalian cells
Nature Protocols 2022.
Precision genome editing in the eye
Proceedings of the National Academy of Sciences of 2022, 119 (39).
In vivo base editing by a single i.v. vector injection for treatment of hemoglobinopathies
JCI Insight 2022, 7 (19).
Understanding Relationships between Free Volume and Oxygen Absorption in Ionic Liquids
Journal of Physical Chemistry B 2022, 126 (6), 1268–1274.
Driving Barocaloric Effects in a Molecular Spin-Crossover Complex at Low Pressures
Journal of the American Chemical Society 2022, 144 (14), 6493–6503.
Liquid and Glass Phases of an Alkylguanidinium Sulfonate Hydrogen-Bonded Organic Framework
Journal of the American Chemical Society 2022, 144 (25), 11064–11068.
Designing Glass and Crystalline Phases of Metal-Bis(acetamide) Networks to Promote High Optical Contrast
Journal of the American Chemical Society 2022.
Colossal barocaloric effects with ultralow hysteresis in two-dimensional metal–halide perovskites
Nature Communications 2022, 13 (1).
Superconductivity in a quintuple-layer square-planar nickelate
Nature Materials 2022, 21 (2), 160–164.
Microporous water with high gas solubilities
Nature 2022, 608 (7924), 712–718.
A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas
Chemical Science 2022.
Fast optical transport of ultracold molecules over long distances
New Journal of Physics 2022, 24 (9).
An optical tweezer array of ground-state polar molecules
Quantum Science and Technology 2022, 7 (3).
Detection of Long-Lived Complexes in Ultracold Atom-Molecule Collisions
Physical Review X 2022, 12 (1).
Enriching the Quantum Toolbox of Ultracold Molecules with Rydberg Atoms
PRX Quantum 2022, 3 (3).
Bimolecular Chemistry in the Ultracold Regime
Annual Review of Physical Chemistry 2022, 73, 73–96.
Ion-pair effects in photoredox chemistry
Chem 2022, 8 (7), 1796–1799.
Comparative excited state dynamics of metallo meso-(4-fluoro-2,6-dimethyl-phenyl) porphyrins
Inorganic Chemistry Communications 2022, 146.
P-Block Metal Oxide Noninnocence in the Oxygen Evolution Reaction in Acid: The Case of Bismuth Oxide
Chemistry of Materials 2022, 34 (2), 826–835.
Chemical Challenges that the Peroxide Dianion Presents to Rechargeable Lithium-Air Batteries
Chemistry of Materials 2022, 34 (9), 3883–3892.
Syntheses and Properties of Metalated Tetradehydrocorrins
Inorganic Chemistry 2022, 61 (31), 12308–12317.
Ag(III)···Ag(III) Argentophilic Interaction in a Cofacial Corrole Dyad
Inorganic Chemistry 2022.
Solvent-Induced Spin-State Change in Copper Corroles
Inorganic Chemistry 2022, 61 (50), 20288–20298.
Probing the Halide Effect in the δ-Bond with One- and Two-Photon Spectroscopy
Journal of Physical Chemistry Letters 2022, 13 (30), 6956–6960.
Polypyrrole-Silicon Nanowire Arrays for Controlled Intracellular Cargo Delivery
Nano Letters 2022, 22 (1), 366–371.
Direct Seawater Splitting by Forward Osmosis Coupled to Water Electrolysis
ACS Applied Energy Materials 2022, 5 (2), 1403–1408.
Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo- meso-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives
ACS Omega 2022.
Proton-Coupled Electron Transfer: The Engine of Energy Conversion and Storage
Journal of the American Chemical Society 2022, 144 (3), 1069–1081.
Taming the Chlorine Radical: Enforcing Steric Control over Chlorine-Radical-Mediated C-H Activation
Journal of the American Chemical Society 2022, 144 (3), 1464–1472.
Self-healing oxygen evolution catalysts
Nature Communications 2022, 13 (1).
Electronic thermal transport measurement in low-dimensional materials with graphene non-local noise thermometry
Nature Nanotechnology 2022, 17 (2), 166–173.
Proton-coupled electron transfer of macrocyclic ring hydrogenation: The chlorinphlorin
Proceedings of the National Academy of Sciences of 2022, 119 (20).
Riboflavin synthesis from gaseous nitrogen and carbon dioxide by a hybrid inorganic-biological system
Proceedings of the National Academy of Sciences of 2022, 119 (37).
The 2022 solar fuels roadmap
Journal of Physics D: Applied Physics 2022, 55 (32).
Modulation Doping of Single-Layer Semiconductors for Improved Contact at Metal Interfaces
Nano Letters 2022.
Probing dark exciton navigation through a local strain landscape in a WSe 2 monolayer
Nature Communications 2022, 13 (1).
Beam steering at the nanosecond time scale with an atomically thin reflector
Nature Communications 2022, 13 (1).
Multi-parametric functional imaging of cell cultures and tissues with a CMOS microelectrode array
Lab on a Chip 2022, 22 (7), 1286–1296.
Optical Entanglement of Distinguishable Quantum Emitters
Physical Review Letters 2022, 128 (21).
Efficient Source of Shaped Single Photons Based on an Integrated Diamond Nanophotonic System
Physical Review Letters 2022, 129 (5).
CMOS electrochemical pH localizer-imager
Science Advances 2022, 8 (30).
Robust multi-qubit quantum network node with integrated error detection
Science 2022, 378 (6619), 557–560.
Modular Synthesis of Cyclopropane-Fused N-Heterocycles Enabled by Underexplored Diazo Reagents
Angewandte Chemie - International Edition 2022.
PALP: A rapid imaging technique for stratifying ferroptosis sensitivity in normal and tumor tissues in situ
Cell Chemical Biology 2022, 29 (1).
Persister cancer cells: Iron addiction and vulnerability to ferroptosis
Molecular Cell 2022, 82 (4), 728–740.
Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development
Structure 2022, 30 (7).
ROS induction as a strategy to target persister cancer cell metabolism
European Journal of Cancer 2022, 174.
Targeted Protein Degradation by Electrophilic PROTACs that Stereoselectively and Site-Specifically Engage DCAF1
Journal of the American Chemical Society 2022, 144 (40), 18688–18699.
Bicyclic azetidines target acute and chronic stages of Toxoplasma gondii by inhibiting parasite phenylalanyl t-RNA synthetase
Nature Communications 2022, 13 (1).
Synthesis of skeletally diverse β-lactam haptens for the in vitro diagnosis of IgE-mediated drug allergy
Chemical Communications 2022.
Selective inhibitors of SARM1 targeting an allosteric cysteine in the autoregulatory ARM domain
Proceedings of the National Academy of Sciences of 2022, 119 (35).
Potent Uncompetitive Inhibitors of Nicotinamide N-Methyltransferase (NNMT) as in Vivo Chemical Probes
Journal of Medicinal Chemistry 2022, 65 (21), 14642–14654.
The physics of liquid-to-solid transitions in multi-domain protein condensates
Biophysical Journal 2022.
Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential
Nature Communications 2022, 13 (1).
Different states and the associated fates of biomolecular condensates
Essays in biochemistry 2022, 66 (7), 849–862.
Systematic Conformation-to-Phenotype Mapping via Limited Protein Sequencing
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2022, 36.
Domain-swapped dimeric γ-crystallin: the missing link in the evolution of oligomeric β-crystallins
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2022, 36.
A native chemical chaperone in the human eye lens
eLife 2022, 11.
An Expanding Foam-Fabric Orthopedic Cast
Advanced Materials Technologies 2022.
Magnetic fields enhance mass transport during electrocatalytic reduction of CO 2
Chem Catalysis 2022, 2 (4), 797–815.
An all-solid-state thin-layer laminated cell for calibration-free coulometric determination of K +
Electrochimica Acta 2022, 408.
Charge Transport Measured Using the EGaIn Junction through Self-Assembled Monolayers Immersed in Organic Liquids
Journal of Physical Chemistry B 2022.
Generating Oscillatory Behavior by Applying a Magnetic Field during Electrocatalytic Oxidation of Glycerol
Journal of Physical Chemistry C 2022, 126 (42), 18159–18169.
An outlook on microfluidics: The promise and the challenge
Lab on a Chip 2022, 22 (3), 530–536.
Programmable soft valves for digital and analog control
Proceedings of the National Academy of Sciences of 2022, 119 (40).
Tube-Balloon Logic for the Exploration of Fluidic Control Elements
IEEE Robotics and Automation Letters 2022.
The Soft Compiler: A Web-Based Tool for the Design of Modular Pneumatic Circuits for Soft Robots
IEEE Robotics and Automation Letters 2022.
Erratum: The Soft Compiler: A Web-Based Tool for the Design of Modular Pneumatic Circuits for Soft Robots (IEEE Robotics and Automation Letters (2022) 7:3 (6060-6066) DOI: 10.1109/LRA.2022.3159858)
IEEE Robotics and Automation Letters 2022, 7 (4), 11474–0.
A buckling-sheet ring oscillator for electronics-free, multimodal locomotion
Science Robotics 2022, 7 (63).
Photoaffinity Labeling Chemistries Used to Map Biomolecular Interactions
Israel Journal of Chemistry 2022.
4-Deoxy-4-fluoro-GalNAz (4FGalNAz) Is a Metabolic Chemical Reporter of O-GlcNAc Modifications, Highlighting the Notable Substrate Flexibility of O-GlcNAc Transferase
ACS Chemical Biology 2022, 17 (1), 159–170.
Molecular and Structural Characterization of Lenalidomide-Mediated Sequestration of eIF3i
ACS Chemical Biology 2022, 17 (11), 3229–3237.
Development of Photolenalidomide for Cellular Target Identification
Journal of the American Chemical Society 2022, 144 (1), 606–614.
Design and Evaluation of a Cyclobutane Diazirine Alkyne Tag for Photoaffinity Labeling in Cells
Journal of the American Chemical Society 2022, 144 (46), 21174–21183.
The schizophrenia-associated variant in SLC39A8 alters protein glycosylation in the mouse brain
Molecular Psychiatry 2022.
The E3 ligase adapter cereblon targets the C-terminal cyclic imide degron
Nature 2022, 610 (7933), 775–782.
Author Correction: Community evaluation of glycoproteomics informatics solutions reveals high-performance search strategies for serum glycopeptide analysis (Nature Methods, (2021), 18, 11, (1304-1316)
Nature Methods 2022, 19 (1), 130–0.
Methods to characterize and discover molecular degraders in cells
Chemical Society Reviews 2022.
Author Correction: Observation of Weyl fermions in a magnetic non-centrosymmetric crystal (Nature Communications, (2020), 11, 1, (3356), 10.1038/s41467-020-16879-1)
Nature Communications 2022, 13 (1).
Theory of optical axion electrodynamics and application to the Kerr effect in topological antiferromagnets
Nature Communications 2022, 13 (1).
Spatially resolved epigenomic profiling of single cells in complex tissues
Cell 2022, 185 (23).
Proteomic and functional analyses of the periodic membrane skeleton in neurons
Nature Communications 2022, 13 (1).
A preoptic neuronal population controls fever and appetite during sickness
Nature 2022.
High-content CRISPR screening
Nature Reviews Methods Primers 2022, 2 (1).
Conservation and divergence of cortical cell organization in human and mouse revealed by MERFISH
Science 2022, 377 (6601), 56–62.
Rapid Inhibitor Discovery by Exploiting Synthetic Lethality
Journal of the American Chemical Society 2022, 144 (8), 3696–3705.
Metal cofactor stabilization by a partner protein is a widespread strategy employed for amidase activation
Proceedings of the National Academy of Sciences of 2022, 119 (26).
O-GlcNAc transferase maintains metabolic homeostasis in response to CDK9 inhibition
Glycobiology 2022, 32 (9), 751–759.
Questions to guide cancer evolution as a framework for furthering progress in cancer research and sustainable patient outcomes
Medical Oncology 2022, 39 (9).
Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems
Journal of the American Society for Mass Spectrometry 2022.
A Materials Acceleration Platform for Organic Laser Discovery
Advanced Materials 2022.
In silico design of microporous polymers for chemical separations and storage
Current Opinion in Chemical Engineering 2022, 36.
Reaching critical MASS: Crowdsourcing designs for the next generation of materials acceleration platforms
Matter 2022, 5 (7), 1972–1976.
SELFIES and the future of molecular string representations
Patterns 2022, 3 (10).
Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab
Accounts of Chemical Research 2022.
Updated Calibrated Model for the Prediction of Molecular Frontier Orbital Energies and Its Application to Boron Subphthalocyanines
Journal of Chemical Information and Modeling 2022, 62 (4), 829–840.
Toward Quantum Computing with Molecular Electronics
Journal of Chemical Theory and Computation 2022.
Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence
Journal of Physical Chemistry Letters 2022, 13 (30), 7100–7104.
Routescore: Punching the Ticket to More Efficient Materials Development
ACS Central Science 2022, 8 (1), 122–131.
Erratum: Generative Adversarial Networks for Crystal Structure Prediction (ACS Central Science (2020) 6:8 (1412-1420) DOI: 10.1021/acscentsci.0c00426)
ACS Central Science 2022, 8 (3), 402–0.
A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
Journal of the American Chemical Society 2022, 144 (3), 1205–1217.
Language models can learn complex molecular distributions
Nature Communications 2022, 13 (1).
Machine learning for a sustainable energy future
Nature Reviews Materials 2022.
On scientific understanding with artificial intelligence
Nature Reviews Physics 2022, 4 (12), 761–769.
Learning interpretable representations of entanglement in quantum optics experiments using deep generative models
Nature Machine Intelligence 2022, 4 (6), 544–554.
Reinforcement learning supercharges redox flow batteries
Nature Machine Intelligence 2022.
A quantum computing view on unitary coupled cluster theory
Chemical Society Reviews 2022, 51 (5), 1659–1684.
Improving the accuracy of the variational quantum eigensolver for molecular systems by the explicitly-correlated perturbative [2] R12 -correction
Physical Chemistry Chemical Physics 2022, 24 (22), 13550–13564.
Guided discovery of chemical reaction pathways with imposed activation
Chemical Science 2022.
Carbazole-substituted benzobisoxazoles: near-UV fluorescent emitters and ambipolar hosts for organic light-emitting diodes
Journal of Materials Chemistry C 2022, 11 (1), 211–222.
Curiosity in exploring chemical spaces: intrinsic rewards for molecular reinforcement learning
Machine Learning: Science and Technology 2022, 3 (3).
Optimized low-depth quantum circuits for molecular electronic structure using a separable-pair approximation
Physical Review A 2022, 105 (3).
Learning quantum dynamics with latent neural ordinary differential equations
Physical Review A 2022, 105 (4).
Experimental High-Dimensional Greenberger-Horne-Zeilinger Entanglement with Superconducting Transmon Qutrits
Physical Review Applied 2022, 17 (2).
Demonstration of Tunable Three-Body Interactions between Superconducting Qubits
Physical Review Letters 2022, 129 (22).
Toward reliability in the NISQ era: Robust interval guarantee for quantum measurements on approximate states
Physical Review Research 2022, 4 (3).
Noisy intermediate-scale quantum algorithms
Reviews of Modern Physics 2022, 94 (1).
Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling
Science 2022, 378 (6618), 399–405.
Design of quantum optical experiments with logic artificial intelligence
Quantum 2022, 6.
Compressing Many-Body Fermion Operators under Unitary Constraints
Journal of Chemical Theory and Computation 2022, 18 (3), 1480–1488.
Time-Dependent Second-Order Green's Function Theory for Neutral Excitations
Journal of Chemical Theory and Computation 2022, 18 (9), 5221–5232.
A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo
Journal of Chemical Theory and Computation 2022, 18 (6), 3447–3459.
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller-Plesset Theory
Journal of Chemical Theory and Computation 2022, 18 (9), 5382–5392.
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
Journal of Chemical Theory and Computation 2022, 18 (12), 7336–7349.
Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overview and Assessment on Main Group Chemistry and Bond-Breaking
Journal of Chemical Theory and Computation 2022.
Ipie: A Python-Based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs
Journal of Chemical Theory and Computation 2022.
Time-crystalline eigenstate order on a quantum processor
Nature 2022, 601 (7894), 531–536.
Unbiasing fermionic quantum Monte Carlo with a quantum computer
Nature 2022, 603 (7901), 416–420.
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach
Physical Chemistry Chemical Physics 2022.
Near-exact nuclear gradients of complete active space self-consistent field wave functions
Journal of Chemical Physics 2022, 157 (9).
Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo
Journal of Chemical Physics 2022, 156 (17).
Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers
Proceedings of the National Academy of Sciences of 2022, 119 (38).
Efficient quantum computation of molecular forces and other energy gradients
Physical Review Research 2022, 4 (4).

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