Robert J. Harrison

Robert J. Harrison's AcademicInfluence.com Rankings

Robert J. Harrison

Chemistry

#1893

World Rank

#2710

Historical Rank

#650

USA Rank

Organic Chemistry

#413

World Rank

#487

Historical Rank

#100

USA Rank

chemistry Degrees

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Chemistry

Robert J. Harrison's Degrees

PhD Chemistry University of California, Berkeley
Masters Chemistry Stanford University

Why Is Robert J. Harrison Influential?

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According to Wikipedia, Robert J. Harrison is a distinguished expert in high-performance computing. He is a professor in the Applied Mathematics and Statistics department and founding Director of the Institute for Advanced Computational Science at Stony Brook University with a $20M endowment. Through a joint appointment with Brookhaven National Laboratory, Professor Harrison has also been named Director of the Computational Science Center and New York Center for Computational Sciences at Brookhaven. Dr. Harrison comes to Stony Brook from the University of Tennessee and Oak Ridge National Laboratory, where he was Director of the Joint Institute of Computational Science, Professor of Chemistry and Corporate Fellow. He has a prolific career in high-performance computing with over one hundred publications on the subject, as well as extensive service on national advisory committees.

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Robert J. Harrison's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions (1992) (10923)
The International Exascale Software Project roadmap (2011) (735)
Parallel Douglas-Kroll Energy and Gradients in NWChem. Estimating Scalar Relativistic Effects Using Douglas-Kroll Contracted Basis Sets. (2001) (701)
High performance computational chemistry: An overview of NWChem a distributed parallel application (2000) (582)
Global arrays: A nonuniform memory access programming model for high-performance computers (1996) (320)
Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles (2002) (300)
NWChem: Past, present, and future. (2020) (269)
Global Arrays: a portable "shared-memory" programming model for distributed memory computers (1994) (243)
Multiresolution quantum chemistry: basic theory and initial applications. (2004) (242)
Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers (1996) (197)
Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models (2005) (186)
Full CI calculations on BH, H2O, NH3, and HF (1983) (186)
Approximating full configuration interaction with selected configuration interaction and perturbation theory (1991) (156)
Automatic code generation for many-body electronic structure methods: the tensor contraction engine (2006) (115)
Isomers and excitation energies of C4 (1986) (112)
Full CI results for Be2 and (H2)2 in large basis sets (1983) (100)
Portable tools and applications for parallel computers (1991) (96)
Multiresolution quantum chemistry in multiwavelet bases: Hartree-Fock exchange. (2004) (96)
Performance and experience with LAPI-a new high-performance communication library for the IBM RS/6000 SP (1998) (95)
Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree-Fock and density functional theory. (2004) (92)
Analytic energy gradients for general coupled‐cluster methods and fourth‐order many‐body perturbation theory (1986) (88)
Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: density functional studies with relativistic effective core potentials. (2005) (87)
A General Method for Calculating Likelihoods Under the Coalescent Process (2011) (87)
Excitation energies in Be: A comparison of multiconfigurational linear response and full configuration interaction calculations (1986) (86)
An efficient implementation of the full-CI method using an (n–2)-electron projection space (1989) (83)
Photoinduced electron transfer in pyromellitimide-bridged porphyrins (1987) (81)
Multiresolution Quantum Chemistry in Multiwavelet Bases (2003) (78)
Parallel computational chemistry made easier: The development of NWChem (1995) (72)
MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation (2015) (70)
Computational study of the structure, dynamics, and photophysical properties of conjugated polymers and oligomers under nanoscale confinement. (2005) (69)
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science. (2018) (66)
Monte Carlo experiments on cluster size distribution in percolation (1979) (65)
Computational prediction of alpha/beta selectivities in the pyrolysis of oxygen-substituted phenethyl phenyl ethers. (2008) (63)
A High-Level Approach to Synthesis of High-Performance Codes for Quantum Chemistry (2002) (61)
A massively parallel multireference configuration interaction program: The parallel COLUMBUS program (1997) (61)
Adsorption and dissociation of methanol on the fully oxidized and partially reduced (111) cerium oxide surface : Dependence on the configuration of the cerium 4f electrons (2008) (61)
Research and Education in Computational Science and Engineering (2016) (60)
Analytic MBPT(2) second derivatives (1986) (60)
Multireference Configuration Interaction Calculations on Cr2: Passing the One Billion Limit in MRCI/MRACPF Calculations (1999) (59)
An implementation of RI–SCF on parallel computers (1997) (59)
Ab initio molecular orbital study of the effects of basis set size on the calculated structure and acidity of hydroxyl groups in framework molecular sieves (1992) (58)
Detection of the inverted region in the photo-induced intramolecular electron transfer of capped porphyrins (1986) (58)
The binding energies of small Be clusters (1986) (56)
Space-time trade-off optimization for a class of electronic structure calculations (2002) (56)
Kinetic Analysis of the Pyrolysis of Phenethyl Phenyl Ether : Computational Prediction of α/β-Selectivities (2007) (53)
Analytical gradient evaluation in coupled-cluster theory (1985) (53)
Liquid water: obtaining the right answer for the right reasons (2009) (53)
AB Initio Molecular Electronic Structure on Parallel Computers (1994) (51)
Singular operators in multiwavelet bases (2004) (49)
Fitting basis sets for the RI-MP2 approximate second-order many-body perturbation theory method (1998) (49)
High-order electron-correlation methods with scalar relativistic and spin-orbit corrections. (2007) (48)
Quantum Monte Carlo calculations on Be and LiH (1985) (48)
OBSERVATIONS ON THE VENOUS SYSTEM IN CERTAIN PINNIPEDIA AND CETACEA (2009) (46)
Krylov subspace accelerated inexact Newton method for linear and nonlinear equations (2004) (46)
Towards Automatic Synthesis of High-Performance Codes for Electronic Structure Calculations: Data Locality Optimization (2001) (46)
Third‐order MBPT gradients (1985) (45)
The lowest energy states of the group-IIIA-group-VA heteronuclear diatomics: BN, BP, AlN, and AlP from full configuration interaction calculations. (2006) (45)
Computational chemistry on the FPS-X64 scientific computers (1987) (45)
A SYSTEMATIC AB INITIO INVESTIGATION OF THE OPEN AND RING STRUCTURES OF OZONE (1998) (44)
Computer molecular‐dynamics studies of grain‐boundary structures. I. Observations of coupled sliding and migration in a three‐dimensional simulation (1982) (44)
FPGA acceleration of a quantum Monte Carlo application (2008) (44)
Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom. (2012) (43)
Contribution of Strain to Nuclear Quadrupole Interactions in Dilute Alloys of Copper (1961) (43)
An ab initio distributed multipole study of the electrostatic potential around an undecapeptide cyclosporin derivative and a comparison with point charge electrostatic models (1989) (41)
Toward high‐performance computational chemistry: II. A scalable self‐consistent field program (1996) (41)
Low-Temperature Resistivity of Dilute Magnetic Impurities in the Presence of Internal Fields (1967) (41)
Analytical calculation of full configuration interaction response properties: Application to Be (1991) (41)
Basis set limit Hartree-Fock and density functional theory response property evaluation by multiresolution multiwavelet basis. (2008) (40)
Future Directions in Tensor-Based Computation and Modeling (2009) (39)
An ab initio investigation of disiloxane using extended basis sets and electron correlation (1992) (38)
Supplementary Material (ESI) for PCCP This journal is © the Owner Societies 2011 The Energetics of Covalent and Non-covalent Binding in Complexes Containing Phosphate and Cationic Amino Groups (2011) (36)
Multiresolution separated representations of singular and weakly singular operators (2007) (35)
Toward high‐performance computational chemistry: I. Scalable Fock matrix construction algorithms (1996) (31)
Parallel direct four-index transformations (1996) (31)
A parallel implementation of the COLUMBUS multireference configuration interaction program (1993) (31)
Modelling the photosynthetic reaction centre: photoinduced electron transfer in a pyromellitimide-bridged ‘special pair’ porphyrin dimer (1987) (30)
An accurate variational wave function for lithium hydride (1984) (30)
Density-Dependent Potentials and the Hard-Sphere Model for Liquid Metals (1969) (29)
Orbital‐invariant second‐order many‐body perturbation theory on parallel computers: An approach for large molecules (1995) (29)
Embedded Atom Potential for BCC Iron (1989) (29)
Stress induced martensitic transition in a molecular dynamics model of α-iron (1992) (28)
Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree-Fock and density functional theory via linear response. (2015) (28)
Pulse radiolysis study of the azulene triplet state (1984) (27)
Supplementary Results on "Low-Temperature Resistivity of Dilute Magnetic Impurities in the Presence of Internal Fields" (1970) (26)
Ab initio Hartree-Fock molecular dynamics with parallel processing: application to small neutral and charged Lin clusters (1996) (26)
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape. (2021) (25)
Computer Molecular Dynamics Simulation Studies of Grain-Boundary Structures. 2. Migration, Sliding, and Annihilation in a Two-Dimensional Solid (1982) (24)
Shared memory NUMA programming on I-WAY (1996) (24)
Approaches to large‐scale parallel self‐consistent field calculations (1995) (24)
Direct computation of general chemical energy differences: Application to ionization potentials, excitation, and bond energies. (2006) (23)
Model-Driven SIMD Code Generation for a Multi-resolution Tensor Kernel (2011) (22)
Shared Memory Programming in Metacomputing Environments: The Global Array Approach (1997) (22)
Toward high-performance computational chemistry: I. Scalable Fock matrix construction algorithms (1996) (21)
Asynchronous Programming in UPC: A Case Study and Potential for Improvement (2009) (20)
CORRIGENDUM: On the cluster size distribution for critical percolation (1976) (20)
Adaptive multi-resolution 3D Hartree-Fock-Bogoliubov solver for nuclear structure (2014) (20)
Parallel internally contracted multireference configuration interaction (1998) (20)
On fusing recursive traversals of K-d trees (2016) (20)
Fast multiresolution methods for density functional theory in nuclear physics (2009) (19)
Quantitative determination of vortex core dimensions in head-to-head domain walls using off-axis electron holography (2008) (19)
Fast multiresolution methods for density functional theory in nuclear physics (2009) (19)
A many‐body perturbation theory and coupled cluster study of the water dimer (1986) (19)
Spanning lengths of percolation clusters (1978) (19)
Solving PDEs in irregular geometries with multiresolution methods I: Embedded Dirichlet boundary conditions (2012) (18)
MULTIRESOLUTION REPRESENTATION OF OPERATORS WITH BOUNDARY CONDITIONS ON SIMPLE DOMAINS (2012) (18)
A relation between structure and pair potential for liquid metals (1967) (17)
Quantitative analysis of electronic properties of carbon nanotubes by scanning probe microscopy: from atomic to mesoscopic length scales. (2004) (17)
Techniques Used in Evaluating Orbital and Wavefunction Coefficients and Property Derivatives — eg The Evaluation of M(B)P(T)-2 Second Derivatives (1986) (17)
New implementation of molecular double point-group symmetry in four-component relativistic Gaussian-type spinors (2007) (17)
Reproduction in some Pinnipedia. (2010) (16)
Moving beyond message passing. Experiments with a distributed-data model (1993) (16)
The synthesis and spectroscopic characterization of an aromatic uranium amidoxime complex (2014) (16)
Polar model of order-disorder (1962) (16)
A Domain-Specific Compiler for a Parallel Multiresolution Adaptive Numerical Simulation Environment (2016) (16)
Programmability of the HPCS Languages: A case study with a quantum chemistry kernel (2008) (16)
MADNESS applied to density functional theory in chemistry and nuclear physics (2007) (15)
Ligand-induced dependence of charge transfer in nanotube-quantum dot heterostructures. (2016) (15)
The global array programming model for high performance scientific computing (1995) (15)
Calibrating quantum chemistry: A multi-teraflop, parallel-vector, full-configuration interaction program for the Cray-X1 (2005) (14)
LPE growth and characterization of n-type InAs (1986) (14)
A performance optimization framework for compilation of tensor contraction expressions into parallel (2002) (14)
A parallel version of ARGOS: A distributed memory model for shared memory UNIX computers (1991) (14)
Implicit solvation models in a multiresolution multiwavelet basis (2013) (14)
Implicit solvation models in a multiresolution multiwavelet basis (2013) (14)
Explicit Management of Memory Hierarchy (1997) (14)
High-Performance Computational Chemistry: Hartree-Fock Electronic Structure Calculations on Massively Parallel Processors (1999) (14)
TRACE RELATIONS FOR TENSORS RELATING ELECTRIC FIELDS AND ELASTIC STRAINS TO NUCLEAR QUADRUPOLE EFFECTS (1962) (14)
Promise and challenge of high-performance computing, with examples from molecular modelling (2002) (13)
Rethinking first-principles electron transport theories with projection operators: the problems caused by partitioning the basis set. (2013) (13)
Analyzing diffuse scattering with supercomputers (2013) (12)
Toward high-performance computational chemistry: II. A scalable self-consistent field program (1996) (12)
Multiresolution computational chemistry (2005) (11)
Some Notes on the Hawaiian Monk Seal (1961) (11)
An improved algorithm for calculating first-order reversal curve (FORC) distributions using locally-weighted regression smoothing (2007) (11)
The effects of granularity on the diffracted intensity in powders (1964) (11)
A reconfigurable supercomputing library for accelerated parallel lagged-Fibonacci pseudorandom number generation (2006) (10)
HASPRNG: Hardware Accelerated Scalable Parallel Random Number Generators (2009) (10)
Excited state quantum-classical molecular dynamics (2005) (10)
Hardware Acceleration of Parallel Lagged-Fibonacci Pseudo Random Number Generation (2006) (10)
Developing a Computational Chemistry Framework for the Exascale Era (2019) (10)
Hardware accelerated Scalable Parallel Random Number Generators for Monte Carlo methods (2008) (10)
A new implementation of dynamic polarizability evaluation using a multi-resolution multi-wavelet basis set (2012) (9)
Picosecond Spectroscopy and Kinetics of Metalloporphyrins (1985) (9)
Structural Analysis of the Complexation of Uranyl, Neptunyl, Plutonyl, and Americyl with Cyclic Imide Dioximes (2018) (9)
Fully relativistic correlated benchmark results for uranyl and a critical look at relativistic effective core potentials for uranium (2001) (9)
Structural Characteristics, Population Analysis, and Binding Energies of [An(NO3)]2+ (with An = Ac to Lr) (2018) (9)
A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems (2009) (8)
High-performance computing in chemistry: NW Chem (1996) (8)
Ookami: Deployment and Initial Experiences (2021) (8)
Chapter 5:Electron Holography of Nanostructured Materials (2007) (8)
An out-of-core implementation of the COLUMBUS massively-parallel multireference configuration interaction program (1998) (8)
Theoretical photoelectron spectroscopy of the nitrite ion (1983) (8)
Reconfigurable accelerator for quantum Monte Carlo simulations in N-body systems (2006) (7)
Reproductive and endocrine organs of foetal, newborn and adult seals (2009) (7)
Calibration of chemical bonding between benzenedithiolate and gold: the effects of geometry and size of gold clusters (2007) (7)
Computational Chemistry at the Petascale: Are We There Yet? (2009) (7)
Application of a structure factor-potential relationship to the electrical resistivity of the liquid alkali metals (1967) (7)
The Template Task Graph (TTG) - an emerging practical dataflow programming paradigm for scientific simulation at extreme scale (2020) (7)
ORNL Cray X1 evaluation status report (2004) (7)
Communication: Manipulating the singlet-triplet equilibrium in organic biradical materials. (2011) (7)
Ab initio study of hydrogen abstraction reactions on toluene and tetralin (2008) (7)
Lattice dynamics studies of grain boundary structures: I. Method and application to stability (1980) (6)
Coordinate-Space Hartree-Fock-Bogoliubov Solvers for Super fluid Fermi Systems in Large Boxes (2012) (6)
Implementation of Hardware-Accelerated Scalable Parallel Random Number Generators (2010) (6)
Deriving parametric multi-way recursive divide-and-conquer dynamic programming algorithms using polyhedral compilers (2020) (6)
High Performance Computational Chemistry: NWChem and Fully Distributed Parallel Applications (1995) (5)
Low-Temperature Resistivity of Dilute Magnetic Impurities in the Presence of Internal Fields (1967) (5)
MULTIRESOLUTION FAST METHODS FOR A PERIODIC 3-D NAVIER-STOKES SOLVER (2009) (5)
On derivatives of smooth functions represented in multiwavelet bases (2019) (5)
Lattice dynamics studies of grain boundary structures. II. Thermodynamic functions (1982) (5)
Artificial Intelligence for Materials Science (1986) (5)
Distributed-memory multi-GPU block-sparse tensor contraction for electronic structure (2020) (5)
Mixed Precision Dense Linear System Solvers for High Performance Reconfigurable Computing (2009) (5)
Introduction: Parallel Computing in Chemical Physics (1993) (4)
Dirac-Fock calculations on molecules in an adaptive multiwavelet basis. (2019) (4)
Power-aware Performance of Mixed Precision Linear Solvers for FPGAs and GPGPUs (2011) (4)
Sub‐surface crypts in the cortex of the mammalian ovary. (2009) (4)
Basic Energy Sciences Roundtable: Opportunities for Quantum Computing in Chemical and Materials Sciences (2017) (4)
Interfacial free energy of a two-dimensional bicrystal (1984) (4)
Computational Chemistry in the Environmental Molecular Sciences Laboratory (1999) (3)
Hardware acceleration of a Quantum Monte Carlo application (2007) (3)
Global arrays: A portable {open_quotes}shared-memory{close_quotes} programming model for distributed memory computers (1994) (3)
Global Arrays: Scientific Programming for Scalable Parallel Computers (2011) (3)
Electron transport in open systems from finite-size calculations: Examination of the principal layer method applied to linear gold chains. (2008) (3)
Fully relativistic correlated benchmark results for uranyl and a critical look at relativistic effective core potentials for uranium (2001) (3)
Structure of grain boundaries in iron (1988) (3)
Adapting Irregular Computations to Large CPU-GPU Clusters in the MADNESS Framework (2012) (3)
Electronic Structure Methods: The Tensor Contraction Engine ⁄ (2015) (3)
The effect of hydrogen gas on the plasticity/cleavage balance in Fe-3.5 Pct Si (1983) (3)
A Pipelined and Parallel Architecture for Quantum Monte Carlo Simulations on FPGAs (2010) (3)
Massively parallel full configuration interaction. Benchmark electronic structure calculations on the Intel Touchstone Delta (1994) (2)
Magnetic‐state‐dependent interatomic potential for iron (abstract) (1990) (2)
Real-space quasi-relativistic quantum chemistry (2020) (2)
Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system (1994) (2)
Comments relating to pair potentials for atomistic simulations at metal interfaces and in bulk (1984) (2)
Kinetic analysis of the pyrolysis of phenethyl phenyl ether: computational prediction of alpha/beta-selectivities. (2007) (2)
MRA and low-separation rank approximation with applications to quantum electronics structures computations (2005) (2)
Fast transform from an adaptive multi-wavelet representation to a partial Fourier representation (2010) (2)
Fast multiresolution methods for density functional theory in nuclear physics (2009) (2)
Combining Distributed and Shared Memory Models: Approach and Evolution of the Global Arrays Toolkit (2002) (2)
The Parallelization of a General Ab Initio Multireference Configuration Interaction Program: The COLUMBUS Program System (1995) (2)
Tensor Contraction on Distributed Hybrid Architectures using a Task-Based Runtime System (2018) (2)
A scalable implementation of RI-SCF on parallel computers (1996) (2)
Generalized Flow-Graph Programming Using Template Task-Graphs: Initial Implementation and Assessment (2022) (2)
Parallel computing in quantum chemistry—message passing and beyond for a general ab initio program system (1994) (2)
Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides (2002) (2)
Quantum Chemistry Methods with Multiwavelet Bases on Massive Parallel Computers (2014) (2)
Confinement effects of solvation on a molecule physisorbed on a polarizable continuum particle (2013) (2)
Detection of the inverted region in photo-induced intramolecular electron transfer (1986) (2)
Artificial intelligence applications in materials science : proceedings of Symposium on Applications of Artificial Intelligence in Material Science (1987) (1)
Proceedings of the XIVth Combustion Research Conference (1992) (1)
Electron Holography of Naturally Occurring Nanomagnets in Rocks (2003) (1)
Analyzing diffuse scattering with supercomputers. Corrigendum (2016) (1)
Magnetism and Microscopy: Applications to mineral magnetism at the nanometre scale (2004) (1)
Efficient Execution of Dynamic Programming Algorithms on Apache Spark (2020) (1)
The Effects of Nanoscale Exsolution on Magnetic Properties: Insights From FORC Diagrams (2005) (1)
Design decisions in the pipelined architecture for Quantum Monte Carlo simulations (2008) (1)
Lattice dynamics studies of grain boundary structures (1982) (1)
Effects of Temperature on Ilmenite-Hematite: Microstructure and Magnetic Properties in the Ecstall Pluton, British Columbia (2007) (1)
Educating HPC Users in the use of advanced computing technology (2021) (1)
Global Arrays Parallel Programming Toolkit (2011) (1)
Lamellar magnetism: A source of unusually strong and stable magnetization on the Earth and other planets? (2002) (1)
Modelling the Photosynthetic Reaction Centre: Photoinduced Electron Transfer in a Pyromellitimide-Bridged ′Special Pair′ Porphyrin Dimer. (1987) (1)
Intergrowths in Multidomain Hematite: Source of High NRM Intensities and Coercivity? (2005) (1)
Massively parallel vs. parallel vector supercomputers: a user's perspective (panel) (1993) (1)
Hydrogenic ions in an attosecond laser (2009) (1)
High Performance Computing in Computational Chemistry: Methods and Machines (2007) (1)
Architectural Comparisons for a Quantum Monte Carlo Application (2011) (1)
Exchange coupling, antiphase boundaries, and the origin of self-reversed thermoremanent magnetization (2005) (0)
Manipulating singlet-triplet equilibrium in organic biradical materials (2011) (0)
Local-Density-Dependent Dielectric Function for Electrons in Metals (1986) (0)
Uptake of Radio‐Potassium (42K) by the Uterus and Placenta During the Advancement of Pregnancy in the Rat and the Goat (2008) (0)
Lively Mammals (1970) (0)
Monoclinic c-axis selection at the Verwey transition: new insights from off-axis electron holography and the delta-ratio magnetosome detection method (2007) (0)
Anelasticity of Perovskite at Seismic Frequencies: DMA Measurement of Twin Wall Internal Friction in LaAlO3 (2002) (0)
Calculation of the energetics of chemical reactions (1988) (0)
Experimental study of magnetic interactions between individual biogenic magnetite nanocrystals (2006) (0)
Direct determination of optimal real-space orbitals for correlated electronic structure of molecules (2022) (0)
On Using Linux Kernel Huge Pages with FLASH, an Astrophysical Simulation Code (2022) (0)
Seismic Frequency Domain Wall Anelasticity in Perovskite (2003) (0)
Computational chemistry at the petascale: Are we there yet? (2009) (0)
Evaluations of molecular modeling and machine learning for predictive capabilities in binding of lanthanum and actinium with carboxylic acids (2022) (0)
Ab Initio Electronic Dynamics of H$_{2}$ in Strong Attosecond Laser Field (2006) (0)
Development and Modeling of a Novel Self-Assembly Process for Polymer and Polymeric Composite Nanoparticles (2017) (0)
Programmability : Design Costs and Payoffs using AMD GPU Streaming Languages and Traditional Multi-Core Libraries (2009) (0)
Tiled Monte Carlo Algorithm : Control of the Statistical Error with Tiling and its Applications (2022) (0)
Multiple multiresolution representation of functions and calculus for fast computation (2010) (0)
Electron Holography and Magnetic Properties of Exsolved Synthetic Titanomagnetites (2007) (0)
Special Issue on Emerging Architectures in Computational Chemistry (2019) (0)
A Multiresolution, Adaptive Numerical Environment for Simulation (2016) (0)
MRA and low-separation rank approximation with applications to quantum electronics structures computations (2005) (0)
Magnetic induction mapping of magnetite chains in magnetotactic bacteria at room temperature and close to the Verwey transition using electron holography (2005) (0)
MADNESS applied to density functional theory in chemistry and nuclear physics (2007) (0)
On the solid—liquid phase transition (2009) (0)
Supplementary Results on (1970) (0)
Computer molecular dynamics observations of coupled grain boundary sliding and migration (1977) (0)
POLAR MODEL OF ORDERING ENERGY IN ALLOYS (1962) (0)
Ab initio study of the kinetics of hydrogen abstraction reactions on toluene and tetralin (2008) (0)
Theory, Modeling and Simulation Annual Report 2000 (2001) (0)
The influence of transformation twins on seismic-frequency anelasticity in perovskite: an investigation using stroboscopic XRD-DMA (2003) (0)
A Computational Investigation of the Structure and Optical Properties of Nanoconfined Semiconducting Polymers (2006) (0)
Real time visualization of Quantum Molecular Dynamics (1992) (0)
Observing the interaction between magnetic and chemical microstructures at the nanometer scale using electron holography (2003) (0)
Poster reception - Reconfigurable accelerator for quantum Monte Carlo simulations in N-body systems (2006) (0)
Torrens Land System - Turta v. C.P.R. - Prior Certificate of Title (1969) (0)
Guided-Wave-Tube Technique for Materials Characterization (1990) (0)
Superelastic Softening of Perovskites at Seismic Frequencies (2001) (0)
In-situ TEM observations of the interaction between magnetic domain walls and twin domain walls below the Verwey transition in magnetite (2007) (0)
Quantitative imaging of magnetic nanoparticles using off-axis electron holography (2005) (0)
Lamellar magnetism: effects of interface versus exchange interactions of nanoscale exsolutions in the ilmenite-hematite system (2005) (0)
Mammals Observed (1971) (0)
— (1981 b): Weddell seal, Leptonychotes weddelli. In: Handbook of marine mammals. Ed. by S. H. (1985) (0)
Hydrogenic ions in an attosecond laser (2009) (0)
Variation of the Low‐Temperature Resistivity in Dilute Magnetic Alloys (1967) (0)
Spin Temperature and Chemical Potentials (1962) (0)
The CERC (Center for Energy Research Computation) report: Results of the CERC Project with recommendations for ANL (Argonne National Laboratory) institutional strategies in advanced scientific computing (1990) (0)
Ab initio quantum chemistry in parallel-portable tools and applications (1991) (0)
Remanent magnetisation in natural nano-structured hemo-ilmentite (2011) (0)
Tribute to Thom H. Dunning, Jr. (2007) (0)
Electronic Transport in Individual Carbon Nanotubes and Nanotube Networks by Scanning Probe Microscopy (2004) (0)
Massively parallel vs. parallel vector supercomputers (Panel): a user's perspective (1993) (0)
On computing bound states of the Dirac and Schr\"odinger Equations (2021) (0)
Using nanoconfinment to tailor semiconducting polymers (2005) (0)
Science at the petascale: tools in the toolbox (2006) (0)
Accurate Numerical Simulations Of Chemical Phenomena Involved in Energy Production and Storage with MADNESS and MPQC: ALCF-2 Early Science Program Technical Report (2013) (0)
Electron holography of oxy-exsolution microstructures in synthetic titanomagnetites (2008) (0)
DENSITY FUNCTIONAL THEORY CALCULATION OF EXCITED-STATE PROPERTIES OF ACTINIDES (1999) (0)
Synthetic clay-magnetite aggregates designed for controlled deposition experiments (2007) (0)
Cracks at interfaces — atomistic versus continuum models (1984) (0)
Grain Boundaries as Solitary Waves (1978) (0)
Computational chemistry on parallel computers (1994) (0)
Response to "Comment on 'Rethinking first-principles electron transport theories with projection operators: the problems caused by partitioning the basis set'" [J. Chem. Phys. 140, 177103 (2014)]. (2014) (0)
Understanding Recursive Divide-and-Conquer Dynamic Programs in Fork-Join and Data-Flow Execution Models (2021) (0)
Using Order and Nanoconfinement to Tailor Semiconducting Polymers: A Combined Experimental and Multiscale Computational Study (2007) (0)

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