Structural and elastic properties of amorphous carbon from simulated quenching at low rates

Transferability in interatomic potentials for carbon

(2019) Carla de Tomas et al.   CARBON

Evolution of amorphous carbon across densities: An inferential study

(2018) Bishal Bhattarai et al.   CARBON

Towards an atomistic understanding of disordered carbon electrode materials

(2018) Volker L. Deringer et al.   CHEMICAL COMMUNICATIONS

Amorphous graphene: a constituent part of low density amorphous carbon

(2018) Bishal Bhattarai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Growth Mechanism and Origin of High sp3 Content in Tetrahedral Amorphous Carbon

(2018) Miguel A. Caro et al.   PHYSICAL REVIEW LETTERS

Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and Density Functional Theory

(2018) Volker L. Deringer et al.   CHEMISTRY OF MATERIALS

The atomic simulation environment—a Python library for working with atoms

(2017) Ask Hjorth Larsen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hybrid carbon based nanomaterials for electrochemical detection of biomolecules

(2017) Tomi Laurila et al.   PROGRESS IN MATERIALS SCIENCE

Graphitization of amorphous carbons: A comparative study of interatomic potentials

(2016) Carla de Tomas et al.   CARBON

An analytical bond-order potential for carbon

(2015) X. W. Zhou et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene

(2015) Sriram Goverapet Srinivasan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials

(2013) Tao Liang et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Screened empirical bond-order potentials for Si-C

(2013) Lars Pastewka et al.   PHYSICAL REVIEW B

Wear, Plasticity, and Rehybridization in Tetrahedral Amorphous Carbon

(2013) Tim Kunze et al.   TRIBOLOGY LETTERS

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Mechanism for the Amorphisation of Diamond

(2012) Barbara A. Fairchild et al.   ADVANCED MATERIALS

Mechanical measurements of ultra-thin amorphous carbon membranes using scanning atomic force microscopy

(2012) Ji Won Suk et al.   CARBON

Bond order potentials for fracture, wear, and plasticity

(2012) Lars Pastewka et al.   MRS BULLETIN

Simulated porosity and electronic structure of nanoporous carbons

(2011) María J. López et al.   JOURNAL OF CHEMICAL PHYSICS

Nanoindentation in materials research: Past, present, and future

(2011) Warren C. Oliver et al.   MRS BULLETIN

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

Atomistic Insights into the Running-in, Lubrication, and Failure of Hydrogenated Diamond-Like Carbon Coatings

(2010) Lars Pastewka et al.   TRIBOLOGY LETTERS

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Self-assembly ofsp2-bonded carbon nanostructures from amorphous precursors

(2009) R. C. Powles et al.   PHYSICAL REVIEW B

Describing bond-breaking processes by reactive potentials: Importance of an environment-dependent interaction range

(2008) Lars Pastewka et al.   PHYSICAL REVIEW B