699 citations
- Aalto UniversityFI1 paper
- AcrobatiqUS1 paper
- Advanced Micro Devices (United States)US1 paper
- Ames National LaboratoryUS1 paper
- Argonne National LaboratoryUS1 paper
- Australian National UniversityAU1 paper
- Brookhaven National LaboratoryUS1 paper
- Cardiff UniversityGB1 paper
- CECOM Software Engineering CenterUS1 paper
- Chinese Academy of SciencesCN1 paper
- City College of New YorkUS1 paper
- Czech Academy of Sciences, Heyrovsky InstituteCZ1 paper
3 papers
physics.chem-ph2020★ 699 cited
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
cond-mat.soft2015★ 132 cited
Self-Diffusiophoretic Colloidal Propulsion Near a Solid Boundary
Ali Mozaffari, Nima Sharifi-Mood, Joel Koplik +1
We study the diffusiophoretic self-propulsion of a colloidal catalytic particle due to a surface chemical reaction in a vicinity of a solid wall. Diffusiophoresis is a chemico-mech…
math.NA2014★ 3 cited
Construction of scalar and vector finite element families on polygonal and polyhedral meshes
Andrew Gillette, Alexander Rand, Chandrajit Bajaj
We combine theoretical results from polytope domain meshing, generalized barycentric coordinates, and finite element exterior calculus to construct scalar- and vector-valued basis…