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D-Index & Metrics

Chemistry

D-Index
47
Citations
16647
World Ranking
15462
National Ranking
3905

Overview

Jan Andzelm is affiliated with the United States Army Research Laboratory in the United States. Their research primarily spans the fields of Engineering and Materials Science, with specific focus areas within Mechanics of Materials, Materials Chemistry, Biomedical Engineering, Physical and Theoretical Chemistry, and Health, Toxicology and Mutagenesis.

The scientist has contributed to several notable topics in materials research, including:

  • Graphene research and applications
  • Mechanical Behavior of Composites
  • Fatigue and fracture mechanics
  • Numerical methods in engineering
  • MXene and MAX Phase Materials
  • Graphene and Nanomaterials Applications
  • Energetic Materials and Combustion

Their recent published papers include:

  • Interface binding and mechanical properties of MXene-epoxy nanocomposites, 2020, Composites Science and Technology
  • Computational Study of Structural and Energetic Properties of Ammonium Perchlorate at Interfaces, 2021, The Journal of Physical Chemistry C
  • Highly Thermostable Dynamic Structures of Polyaramid Two-Dimensional Polymers, 2020, Macromolecules
  • Modeling Brittle Fractures in Epoxy Nanocomposites Using Extended Finite Element and Cohesive Zone Surface Methods, 2021, Polymers
  • Modeling Brittle Fracture in Epoxy Nanocomposites using Extended Finite Element and Cohesive Zone Surface Methods, 2021, Preprints.org

Frequent collaborators in Jan Andzelm's work include John J. S. Biswakarma, Dario A. Cruz, Erich D. Bain, Steven R. Lustig, and Yelena R. Sliozberg.

The scientist's research contributions have appeared in a range of publication venues, each having one publication listed, such as:

  • Composites Science and Technology
  • The Journal of Physical Chemistry C
  • Macromolecules
  • Polymers
  • Preprints.org

Jan Andzelm's work involves experimental and computational approaches to studying material interfaces, composites behavior under mechanical stresses, and the modeling of fracture processes, particularly in polymer nanocomposites. Their research covers both the fundamental chemistry and physical mechanics relevant to advanced materials used in military and engineering applications.

Best Publications

  • Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

    Nathalie Godbout;Dennis R. Salahub;Jan Andzelm;Erich Wimmer

  • Density Functional Methods in Chemistry

    Jan K. Labanowski;Jan W. Andzelm

  • A generalized synchronous transit method for transition state location

    Niranjan Govind;Max Petersen;George Fitzgerald;Dominic King-Smith

  • Density functional Gaussian‐type‐orbital approach to molecular geometries, vibrations, and reaction energies

    J. Andzelm;E. Wimmer

  • Incorporation of solvent effects into density functional calculations of molecular energies and geometries

    Jan Andzelm;Christoph Kölmel;Andreas Klamt

  • A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

    Carlos Sosa;Jan Andzelm;Brad C. Elkin;Erich Wimmer

  • Cation-Induced Hydrogels of Cellulose Nanofibrils with Tunable Moduli

    Hong Dong;James F Snyder;Kristen S Williams;Jan W Andzelm

  • Spin contamination in density functional theory

    Jon Baker;Andrew Scheiner;Jan Andzelm

  • A study of some organic reactions using density functional theory

    Jon Baker;Max Muir;Jan Andzelm

  • Effect of adsorbates on field emission from carbon nanotubes.

    Amitesh Maiti;Jan Andzelm;Noppawan Tanpipat;Paul von Allmen

  • Geometry optimization of solids using delocalized internal coordinates

    Jan Andzelm;R.D. King-Smith;George Fitzgerald

  • Analytical gradient of the linear combination of Gaussian‐type orbitals—local spin density energy

    R. Fournier;J. Andzelm;D.R. Salahub

  • Model potential calculations for second‐row transition metal molecules within the local‐spin‐density method

    Jan Andzelm;Elżbieta Radzio;Dennis R. Salahub

  • Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn—Sham equation using several density functionals

    Andrew C. Scheiner;Jon Baker;Jan W. Andzelm

  • Compact basis sets for LCAO‐LSD calculations. Part I: Method and bases for Sc to Zn

    J. Andzelm;E. Radzio;D. R. Salahub

  • OH + H2 → H2O + H. The importance of ‘exact exchange’ in density functional theory

    Jon Baker;Jan Andzelm;Max Muir;Peter R. Taylor

  • An enhanced entangled polymer model for dissipative particle dynamics

    Timothy W. Sirk;Yelena R. Slizoberg;John K. Brennan;Martin Lisal

  • Ground and excited states of group IVA diatomics from local‐spin‐density calculations: Model potentials for Si, Ge, and Sn

    Jan Andzelm;Nino Russo;Dennis R. Salahub

  • Nanotube-based gas sensors - role of structural defects

    Jan Andzelm;Niranjan Govind;Amitesh Maiti

  • Chemical applications of density functional theory: comparison to experiment, Hartree-Fock, and perturbation theory

    George Fitzgerald;Jan Andzelm

  • A density functional study of the glycine molecule: Comparison with post‐Hartree–Fock calculations and experiment

    D. T. Nguyen;A. C. Scheiner;J. W. Andzelm;S. Sirois

Frequent Co-Authors

Dennis R. Salahub
Dennis R. Salahub University of Calgary
Nino Russo
Nino Russo University of Calabria
David A. Dixon
David A. Dixon University of Alabama
Amitesh Maiti
Amitesh Maiti Lawrence Livermore National Laboratory
Mark O. Robbins
Mark O. Robbins Johns Hopkins University
Jürgen Bajorath
Jürgen Bajorath University of Bonn
Krzysztof Szalewicz
Krzysztof Szalewicz University of Delaware
Trygve Helgaker
Trygve Helgaker University of Oslo
Bernard Delley
Bernard Delley Paul Scherrer Institute
Martin W. Doyle
Martin W. Doyle Duke University

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