Standout Papers
- Protein structure prediction using multiple deep neural networks in the 13th Critical Assessment of Protein Structure Prediction (CASP13) (2019)
- Improved protein structure prediction using potentials from deep learning (2020)
- Overcoming catastrophic forgetting in neural networks (2017)
- Pushing the frontiers of density functionals by solving the fractional electron problem (2021)
Citation Impact
Citing Papers
An enumerative algorithm for de novo design of proteins with diverse pocket structures
2020 StandoutNobel
Biological structure and function emerge from scaling unsupervised learning to 250 million protein sequences
2021
Exploiting conformational dynamics to modulate the function of designed proteins
2023 StandoutNobel
Hallucinating symmetric protein assemblies
2022 StandoutScienceNobel
Rapid and automated design of two-component protein nanomaterials using ProteinMPNN
2024 StandoutNobel
Protein tertiary structure prediction and refinement using deep learning and Rosetta in CASP14
2021 StandoutNobel
Genetic manipulation of Patescibacteria provides mechanistic insights into microbial dark matter and the epibiotic lifestyle
2023 StandoutNobel
Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
Recent advances in de novo protein design: Principles, methods, and applications
2021
CopulaNet: Learning residue co-evolution directly from multiple sequence alignment for protein structure prediction
2021
Efficient inorganic–organic hybrid heterojunction solar cells containing perovskite compound and polymeric hole conductors
2013 Standout
A polymer tandem solar cell with 10.6% power conversion efficiency
2013 Standout
Factors Limiting Device Efficiency in Organic Photovoltaics
2012
Dithiazolyl-benzothiadiazole-containing polymer acceptors: synthesis, characterization, and all-polymer solar cells
2013
Efficient planar heterojunction perovskite solar cells by vapour deposition
2013 StandoutNature
High Open Circuit Voltage in Regioregular Narrow Band Gap Polymer Solar Cells
2014
Molecular origin of high field-effect mobility in an indacenodithiophene–benzothiadiazole copolymer
2013
Sequential deposition as a route to high-performance perovskite-sensitized solar cells
2013 StandoutNature
A Selenophene‐Based Low‐Bandgap Donor–Acceptor Polymer Leading to Fast Ambipolar Logic
2012
Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology
2012 Standout
Charge Transport in Semiconductors with Multiscale Conformational Dynamics
2009
Toward Ultralow‐Bandgap Liquid Crystalline Semiconductors: Use of Triply Fused Metalloporphyrin Trimer–Pentamer as Extra‐large π‐Extended Mesogenic Motifs
2012
Multiply-fused porphyrins—effects of extended π-conjugation on the optical and electrochemical properties
2013
Tuning charge transport in solution-sheared organic semiconductors using lattice strain
2011 Nature
Electron Transport through Single Molecules Comprising Aromatic Stacks Enclosed in Self‐Assembled Cages
2011
AI in health and medicine
2022 Standout
Columnar Self‐Assembly in Electron‐Deficient Heterotriangulenes
2013
The road to fully programmable protein catalysis
2022 StandoutNatureNobel
Machine learning for molecular and materials science
2018 StandoutNature
De novo design of luciferases using deep learning
2023 StandoutNatureNobel
End‐Capping Effect of a Narrow Bandgap Conjugated Polymer on Bulk Heterojunction Solar Cells
2011 Nobel
Organic Semiconductors: Impact of Disorder at Different Timescales
2010
The trRosetta server for fast and accurate protein structure prediction
2021 StandoutNobel
A Brief History of De Novo Protein Design: Minimal, Rational, and Computational
2021
Improved protein structure refinement guided by deep learning based accuracy estimation
2021 StandoutNobel
Molecular Packing of High-Mobility Diketo Pyrrolo-Pyrrole Polymer Semiconductors with Branched Alkyl Side Chains
2011
Highly π‐Extended Copolymers with Diketopyrrolopyrrole Moieties for High‐Performance Field‐Effect Transistors
2012
Sulfur‐Annulated Hexa‐peri‐hexabenzocoronene Decorated with Phenylthio Groups at the Periphery
2015
High‐Performance Ambipolar Diketopyrrolopyrrole‐Thieno[3,2‐b]thiophene Copolymer Field‐Effect Transistors with Balanced Hole and Electron Mobilities
2011
Applications of high-resolution 1H solid-state NMR
2011
Highly Photoluminescent Carbon Dots for Multicolor Patterning, Sensors, and Bioimaging
2013 Standout
Superiority of Branched Side Chains in Spontaneous Nanowire Formation: Exemplified by Poly(3‐2‐methylbutylthiophene) for High‐Performance Solar Cells
2011
Biophysical prediction of protein–peptide interactions and signaling networks using machine learning
2020
Compositional engineering of perovskite materials for high-performance solar cells
2015 StandoutNature
Neuroscience-Inspired Artificial Intelligence
2017 StandoutNobel
Predicting functional effect of missense variants using graph attention neural networks
2022
Electroactive materials for organic electronics: preparation strategies, structural aspects and characterization techniques
2010
From computational discovery to experimental characterization of a high hole mobility organic crystal
2011
Improved Current Extraction from ZnO/PbS Quantum Dot Heterojunction Photovoltaics Using a MoO3 Interfacial Layer
2011 StandoutNobel
Solution‐Processed Small Molecule‐Polymer Blend Organic Thin‐Film Transistors with Hole Mobility Greater than 5 cm2/Vs
2012
Fast activation maximization for molecular sequence design
2021
Regioregular pyridyl[2,1,3]thiadiazole-co-indacenodithiophene conjugated polymers
2013
Protein sequence design with a learned potential
2022
4,5‐Pyrenocyanine—Just Another Phthalocyanine? A STM and 2D WAXS Study
2012
Columnar liquid crystalline bis-N-annulated quaterrylenes
2011
De novo protein design by deep network hallucination
2021 StandoutNatureNobel
A high mobility conjugated polymer based on dithienothiophene and diketopyrrolopyrrole for organic photovoltaics
2012
Integrated Materials Design of Organic Semiconductors for Field-Effect Transistors
2013
Ultrahigh Mobility in Polymer Field-Effect Transistors by Design
2011
Computational Study of the Structure and Charge-Transfer Parameters in Low-Molecular-Mass P3HT
2009
High Fill Factor and Open Circuit Voltage in Organic Photovoltaic Cells with Diindenoperylene as Donor Material
2010
Charge Photogeneration in Organic Solar Cells
2010 Standout
AWSEM-Suite: a protein structure prediction server based on template-guided, coevolutionary-enhanced optimized folding landscapes
2020
Controllable protein design with language models
2022
Thieno[3,2-b]thiophene−Diketopyrrolopyrrole-Containing Polymers for High-Performance Organic Field-Effect Transistors and Organic Photovoltaic Devices
2011
π-Conjugated Polymers for Organic Electronics and Photovoltaic Cell Applications
2010 Standout
Construction of a Hierarchical Architecture of Covalent Organic Frameworks via a Postsynthetic Approach
2018 StandoutNobel
Improved performance of cyanine solar cells with polyaniline anodes
2010
Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons
2014 StandoutNobel
Self-Assembly and Near Perfect Macroscopic Alignment of Fluorescent Triangulenium Salt in Spin-Cast Thin Films on PTFE
2013
ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger
2012 StandoutNobel
Polyphenylene-Based Materials for Organic Photovoltaics
2010
Well-Defined Thiolated Nanographene as Hole-Transporting Material for Efficient and Stable Perovskite Solar Cells
2015
Supramolecular Chirality in Self-Assembled Systems
2015 Standout
Forever young: polycyclic aromatic hydrocarbons as model cases for structural and optical studies
2010
Voltage output of efficient perovskite solar cells with high open-circuit voltage and fill factor
2014
Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]
2013
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods
2020 StandoutNobel
Critical assessment of methods of protein structure prediction (CASP)—Round XIII
2019
Strongly Enhanced Photovoltaic Performance and Defect Physics of Air‐Stable Bismuth Oxyiodide (BiOI)
2017 StandoutNobel
Supramolecular Helices: Chirality Transfer from Conjugated Molecules to Structures
2013
Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility
2012
Peptide-binding specificity prediction using fine-tuned protein structure prediction networks
2023 StandoutNobel
Challenges for in silico design of organic semiconductors
2012
High-power three-dimensional polymer FETs
2012
Photoinduced Hole Transfer Becomes Suppressed with Diminished Driving Force in Polymer‐Fullerene Solar Cells While Electron Transfer Remains Active
2012
Drastic Control of Texture in a High Performance n-Type Polymeric Semiconductor and Implications for Charge Transport
2011
Charge transport in columnar mesophases of carbazole macrocycles
2010
The speed limit for sequential charge hopping in molecular materials
2011
Regioregular Pyridal[2,1,3]thiadiazole π-Conjugated Copolymers
2011 Nobel
Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives
2015
Electron- or Hole-Transporting Nature Selected by Side-Chain-Directed π-Stacking Geometry: Liquid Crystalline Fused Metalloporphyrin Dimers
2011
Semiconducting π-Conjugated Systems in Field-Effect Transistors: A Material Odyssey of Organic Electronics
2011 Standout
Solution-Processable Ambipolar Diketopyrrolopyrrole–Selenophene Polymer with Unprecedentedly High Hole and Electron Mobilities
2012
Influence of Interfacial Area on Exciton Separation and Polaron Recombination in Nanostructured Bilayer All-Polymer Solar Cells
2014
High Performance Weak Donor–Acceptor Polymers in Thin Film Transistors: Effect of the Acceptor on Electronic Properties, Ambipolar Conductivity, Mobility, and Thermal Stability
2011 Nobel
Solution-processed organic transistors based on semiconducting blends
2010
Synthesis of Fluorinated Polythienothiophene-co-benzodithiophenes and Effect of Fluorination on the Photovoltaic Properties
2011
Evolutionary-scale prediction of atomic-level protein structure with a language model
2023 StandoutScience
Interface engineering of highly efficient perovskite solar cells
2014 StandoutScience
Indacenodithiophene and Quinoxaline-Based Conjugated Polymers for Highly Efficient Polymer Solar Cells
2011
Self-Assembling Thiophene Dendrimers with a Hexa-peri-hexabenzocoronene Core−Synthesis, Characterization and Performance in Bulk Heterojunction Solar Cells
2009
Polymer Blend Solar Cells Based on a High‐Mobility Naphthalenediimide‐Based Polymer Acceptor: Device Physics, Photophysics and Morphology
2011
25th Anniversary Article: Organic Field‐Effect Transistors: The Path Beyond Amorphous Silicon
2014 Standout
High-mobility low-bandgap conjugated copolymers based on indacenodithiophene and thiadiazolo[3,4-c]pyridine units for thin film transistor and photovoltaic applications
2011
Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH 3 NH 3 PbI 3
2013 StandoutScience
De novo design of small beta barrel proteins
2023 StandoutNobel
Charge‐transport physics of high‐mobility molecular semiconductors
2012
Solar cells utilizing small molecular weight organic semiconductors
2007
PbSe Nanocrystal Excitonic Solar Cells
2009
The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid
2011
Solution-Processable Low-Molecular Weight Extended Arylacetylenes: Versatile p-Type Semiconductors for Field-Effect Transistors and Bulk Heterojunction Solar Cells
2010
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber
2013 StandoutScience
Effect of Fluorination on the Properties of a Donor–Acceptor Copolymer for Use in Photovoltaic Cells and Transistors
2013
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Charge Separation versus Recombination in Dye-Sensitized Nanocrystalline Solar Cells: the Minimization of Kinetic Redundancy
2005
Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States
2013
Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings
2014
Incorporation of rubidium cations into perovskite solar cells improves photovoltaic performance
2016 StandoutScience
Siloxane-Terminated Solubilizing Side Chains: Bringing Conjugated Polymer Backbones Closer and Boosting Hole Mobilities in Thin-Film Transistors
2011
Polymer solar cells with enhanced fill factors
2013
High-performance photovoltaic perovskite layers fabricated through intramolecular exchange
2015 StandoutScience
Design of Semiconducting Indacenodithiophene Polymers for High Performance Transistors and Solar Cells
2012
Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application
2016 StandoutNobel
Heterojunction Photovoltaics Using Printed Colloidal Quantum Dots as a Photosensitive Layer
2009 StandoutNobel
Molecular Semiconductors in Organic Photovoltaic Cells
2010
Recent Advances in Bulk Heterojunction Polymer Solar Cells
2015 Standout
Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications
2016 Standout
Protein Design with Deep Learning
2021
Titanium Dioxide Nanomaterials: Synthesis, Properties, Modifications, and Applications
2007 Standout
Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells
2017 StandoutScience
Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions
2009
A heterotriangulene polymer for air-stable organic field-effect transistors
2013
Effect of Polymer Crystallinity in P3HT:PCBM Solar Cells on Band Gap Trap States and Apparent Recombination Order
2012
Accurate proteome-wide missense variant effect prediction with AlphaMissense
2023 StandoutScienceNobel
Radically Enhanced Molecular Switches
2012 StandoutNobel
AmoebaContact and GDFold as a pipeline for rapid de novo protein structure prediction
2019
Synthesis and characterization of phenanthrocarbazole–diketopyrrolopyrrole copolymer for high‐performance field‐effect transistors
2013
Large area, soft crystalline thin films of N,N′,N′′-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice
2012
Semiconducting Thienothiophene Copolymers: Design, Synthesis, Morphology, and Performance in Thin‐Film Organic Transistors
2009
A general relationship between disorder, aggregation and charge transport in conjugated polymers
2013 Standout
Works of James Kirkpatrick being referenced
Overcoming catastrophic forgetting in neural networks
2017 StandoutNobel
Factors limiting the efficiency of molecular photovoltaic devices
2004
Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics
2009
Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies
2010
Improved protein structure prediction using potentials from deep learning
2020 StandoutNatureNobel
Systematic Improvement in Charge Carrier Mobility of Air Stable Triarylamine Copolymers
2009
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Recombination via tail states in polythiophene:fullerene solar cells
2011
Supramolecular structure of perylene tetracarboxdiimides
2008
Predictive Study of Charge Transport in Disordered Semiconducting Polymers
2007
Modeling Charge Transport in Organic Photovoltaic Materials
2009
A panchromatic anthracene-fused porphyrin sensitizer for dye-sensitized solar cells
2012
Charge Mobility of Discotic Mesophases: A Multiscale Quantum and Classical Study
2007
Understanding Structure−Mobility Relations for Perylene Tetracarboxydiimide Derivatives
2009
Effect of the End Group of Regioregular Poly(3-hexylthiophene) Polymers on the Performance of Polymer/Fullerene Solar Cells
2007
Structure–charge mobility relation for hexabenzocoronene derivatives
2008
Charge transport parameters of HBC at different temperatures
2008
Protein structure prediction using multiple deep neural networks in the 13th Critical Assessment of Protein Structure Prediction (CASP13)
2019 StandoutNobel
Analysis of the photovoltaic efficiency of a molecular solar cell based on a two-level system
2004
Coarse‐grained modelling of polypyrrole morphologies
2008
Columnar mesophases of hexabenzocoronene derivatives. I. Phase transitions
2008
Theoretical study of the transfer integral and density of states in spiro-linked triphenylamine derivatives
2005
Atomistic force field and electronic properties of carbazole: from monomer to macrocycle
2008
Energy versuselectron transfer in organic solar cells: a comparison of the photophysics of two indenofluorene: fullerene blend films
2011
Columnar mesophases of hexabenzocoronene derivatives. II. Charge carrier mobility
2008
A Systematic Approach to the Design Optimization of Light‐Absorbing Indenofluorene Polymers for Organic Photovoltaics
2012
Microscopic Simulations of Charge Transport in Disordered Organic Semiconductors
2011
Indacenodithiophene Semiconducting Polymers for High-Performance, Air-Stable Transistors
2010
A multiscale description of charge transport in conjugated oligomers
2010
An approximate method for calculating transfer integrals based on the ZINDO Hamiltonian
2007