422 citations
- Centre National de la Recherche ScientifiqueFR141 papers
- Sorbonne UniversitéFR118 papers
- Réseau sur le Stockage Electrochimique de l'énergieFR34 papers
- Brookhaven National LaboratoryUS32 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR28 papers
- Columbia UniversityUS27 papers
- University of California, RiversideUS27 papers
- Stony Brook UniversityUS26 papers
- Abilene Christian UniversityUS25 papers
- Bhabha Atomic Research CentreIN25 papers
- CEA Paris-SaclayFR25 papers
- The University of TokyoJP25 papers
314 papers
Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces
Hari Haran Sudhakar, Alessandra Serva, Rocio Semino
The Hamiltonian-Adaptive Resolution Simulation (H-AdResS) method allows to combine atomistic and particle-based coarse-grained models in a single simulation box, which makes it ver…
Partially reactive force field for the UiO-66 metal-organic framework
Akanksha Nawani, Rocio Semino
UiO-66 is the most widely studied metal-organic framework (MOF), on account of its structural tunability given by its capacity of sustaining high amounts of point defects in its st…
Impacts of annealing on structural and photophysical properties of zinc phthalocyanine adsorbed on graphene
Gautier Creutzer, Quentin Fernez, Nataliya Kalashnyk +5
We report the demonstration and analysis by combined scanning-tunneling-microscopy and optical microspectroscopy of a 2D phase change experienced by a self-assembled zinc phthalocy…
Accelerating charging dynamics of electric double-layer capacitors
Megh Dutta, Ivan Palaia, Emmanuel Trizac +1
Electric double-layer capacitors (EDLCs), consisting of an ionic fluid between two metallic electrodes, are electrochemical energy storage devices complementary to batteries, allow…
Extending Hamiltonian-Adaptive Resolution Simulation to Interfaces: An Updated LAMMPS Implementation and Application to Porous Solids
Hari Haran Sudhakar, Alessandra Serva, Rocio Semino
Many natural phenomena involve processes that happen simultaneously at different characteristic length- and timescales. Typically, the region where the process of interest happens…
PHENIX Measurements of Light Hadron and Vector Meson Production at RHIC
Murad Sarsour
Measurements of light hadron production in ultrarelativistic nuclear collisions provide essential insight into final-state effects arising from both hot and cold nuclear matter. Th…