Standout Papers
Citation Impact
Citing Papers
Cluster failure: Why fMRI inferences for spatial extent have inflated false-positive rates
2016 Standout
Breaking the 49-Qubit Barrier in the Simulation of Quantum Circuits
2024
Visualizing Data using t-SNE
2008 StandoutNobel
Spurious but systematic correlations in functional connectivity MRI networks arise from subject motion
2011 Standout
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
A breakdown of symmetry in the folding transition state of protein L
2000 StandoutNobel
Medical image processing on the GPU – Past, present and future
2013
Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model
2003 Standout
Channel plasmon subwavelength waveguide components including interferometers and ring resonators
2006 StandoutNature
Probing Time-Dependent Molecular Dipoles on the Attosecond Time Scale
2013 StandoutNobel
Representation Learning: A Review and New Perspectives
2013 Standout
Quantum Algorithm for Linear Systems of Equations
2009 Standout
Giga-voxel computational morphogenesis for structural design
2017 StandoutNature
Discovering faster matrix multiplication algorithms with reinforcement learning
2022 StandoutNatureNobel
A variational eigenvalue solver on a photonic quantum processor
2014 Standout
The quiet revolution of numerical weather prediction
2015 StandoutNature
Functional Network Organization of the Human Brain
2011 Standout
Computation of molecular electrostatics with boundary element methods
1997
Deep learning in neural networks: An overview
2014 Standout
Jacobian-free Newton–Krylov methods: a survey of approaches and applications
2003 Standout
Cross-correlations of American baby names
2015 StandoutNobel
Characterizing quantum supremacy in near-term devices
2018 StandoutNobel
Achieving linear-scaling computational cost for the polarizable continuum model of solvation
2004
Efficient Algorithms for Computing a Strong Rank-Revealing QR Factorization
1996
Carbons and Electrolytes for Advanced Supercapacitors
2014 Standout
Iterative solution of linear systems in the 20th century
2000
Continuous surface charge polarizable continuum models of solvation. I. General formalism
2010 Standout
Randomized algorithms for the low-rank approximation of matrices
2007 Standout
Surface Structures of Cubo-octahedral Pt-Mo Catalyst Nanoparticles from Monte Carlo \nSimulations
2005
Analytical gradient for the domain-based local pair natural orbital second order Møller-Plesset perturbation theory method (DLPNO-MP2)
2019
The ORCA quantum chemistry program package
2020 Standout
Computer Simulation of Liquids
2017 Standout
Condition numbers of random matrices
1991
Noise Dressing of Financial Correlation Matrices
1999 Standout
Atmospheric Modeling, Data Assimilation and Predictability
2002 Standout
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
2008 Standout
Community detection in graphs
2009 Standout
Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles
2016 StandoutNobel
Networks for approximation and learning
1990 Standout
Scalable Parallel Approach for High-Fidelity Steady-State Aeroelastic Analysis and Adjoint Derivative Computations
2014
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
2006
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix
2006 StandoutNobel
Geometric diffusions as a tool for harmonic analysis and structure definition of data: Diffusion maps
2005 Standout
Optimization of three-dimensional catalyst pore structures
1994
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
2017
Reducing the Dimensionality of Data with Neural Networks
2006 StandoutScienceNobel
Tensors in computations
2021
Elastic PMLs for resonator anchor loss simulation
2005
Meep: A flexible free-software package for electromagnetic simulations by the FDTD method
2009 Standout
Roofline
2009 Standout
2014
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
2008 StandoutNobel
Compressed sensing
2006 Standout
Eigenvalue computation in the 20th century
2000
The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models
2008
A framework for practical parallel fast matrix multiplication
2015
Fast Structured Matrix Computations: Tensor Rank and Cohn–Umans Method
2016
A statistical mechanical model for β-hairpin kinetics
1998
Expokit
1998
Monte Carlo simulations of segregation in Pt-Ni catalyst nanoparticles
2004
Terahertz-Driven Stark Spectroscopy of CdSe and CdSe–CdS Core–Shell Quantum Dots
2019 StandoutNobel
Parallelizing a Molecular Dynamics Algorithm on a Multiprocessor Workstation Using OpenMP
2005
Organic Semiconductor Lasers
2007 Standout
Preconditioning Techniques for Large Linear Systems: A Survey
2002
Smoothed Analysis of the Condition Numbers and Growth Factors of Matrices
2006
Thin Plate Regression Splines
2003 Standout
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
2007 StandoutNobel
Strassen’s Algorithm Reloaded on GPUs
2020
Eigenvalues and Condition Numbers of Random Matrices
1988 Standout
Atomistic simulation of nanowires in thes p 3 d 5 s *
2006
Cavity optomechanics
2014 Standout
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals
2015
Objective Criteria for the Evaluation of Clustering Methods
1971 Standout
Lanczos-type solvers for nonsymmetric linear systems of equations
1997
A parallel, implicit, cell‐centered method for two‐phase flow with a preconditioned Newton–Krylov solver
1997
A survey of computational complexity results in systems and control
2000
octopus:a tool for the application of time‐dependent density functional theory
2006
Activation of olefins via asymmetric Brønsted acid catalysis
2018 StandoutScienceNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
The Mechanics of the Industrial Revolution
2022 StandoutNobel
The GAMESS-UK electronic structure package: algorithms, developments and applications
2005
Nonlinear Dimensionality Reduction by Locally Linear Embedding
2000 StandoutScience
Hessian eigenmaps: Locally linear embedding techniques for high-dimensional data
2003 Standout
Simulations of nanometric optical circuits based on surface plasmon polariton gap waveguide
2003
Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers
2005 Standout
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
2009 Standout
Parametric study of modal gain and threshold power density in electrically pumped single-layer organic optical amplifier and laser diode structures
2005
Works of James Demmel being referenced
Performance Optimizations and Bounds for Sparse Matrix-Vector Multiply
2002
Communication-avoiding parallel strassen: implementation and performance
2012
Fast $\ell_1$-SPIRiT Compressed Sensing Parallel Imaging MRI: Scalable Parallel Implementation and Clinically Feasible Runtime
2012
LAPACK's user's guide
1992
Applied Numerical Linear Algebra
1997
ScaLAPACK Users' Guide
1997
Templates for the Solution of Linear Systems: Building Blocks for Iterative Methods.
1995
Jacobi’s Method is More Accurate than QR
1992
The geometry of III-conditioning
1987
Self-Adapting Linear Algebra Algorithms and Software
2005
A massively parallel tensor contraction framework for coupled-cluster computations
2014
Templates for the Solution of Algebraic Eigenvalue Problems: A Practical Guide
1987
The probability that a numerical analysis problem is difficult
1988
Parallel numerical linear algebra
1993
SuperLU_DIST
2003
A Supernodal Approach to Sparse Partial Pivoting
1999 Standout
Templates for the Solution of Linear Systems: Building Blocks for Iterative Methods
1994 Standout
Unconstrained Energy Functionals for Electronic Structure Calculations
1999
Graph expansion and communication costs of fast matrix multiplication
2012
The Componentwise Distance to the Nearest Singular Matrix
1992
Fast matrix multiplication is stable
2007
The Probability That a Numerical Analysis Problem is Difficult
1988