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6 papers · 1 filter
Rapid initial state preparation for the quantum simulation of strongly correlated molecules
Dominic W. Berry, Yu Tong, Tanuj Khattar +8
Studies on quantum algorithms for ground state energy estimation often assume perfect ground state preparation; however, in reality the initial state will have imperfect overlap wi…
Towards a Knowledge Graph for Models and Algorithms in Applied Mathematics
Björn Schembera, Frank Wübbeling, Hendrik Kleikamp +8
Mathematical models and algorithms are an essential part of mathematical research data, as they are epistemically grounding numerical data. In order to represent models and algorit…
Direct Optical Probing of the Magnetic Properties of the Layered Antiferromagnet CrPS
Tomasz Fąs, Mateusz Wlazło, Magdalena Birowska +11
Unusual magnetic properties of Van der Waals type antiferromagnetic semiconductors make them highly attractive for spintronics and optoelectronics. A link between the magnetic and…
Stochastic branching models for the telomeres dynamics in a model including telomerase activity
Athanase Benetos, Coralie Fritsch, Emma Horton +3
Telomeres are repetitive sequences of nucleotides at the end of chromosomes, whose evolution over time is intrinsically related to biological ageing. In most cells, with each cell…
How emulsified droplets induce the bursting of suspended films of liquid mixtures
Léa Delance, Enric Santanach-Carreras, Nicolas Passade-Boupat +3
Emulsion droplets of silicone oil (PDMS) are widely used as antifoaming agents but, in the case of non-aqueous foams, the mechanisms responsible for the bursting of the films separ…
Thermal Conductivity Calculation using Homogeneous Non-equilibrium Molecular Dynamics Simulation with Allegro
Kohei Shimamura, Shinnosuke Hattori, Ken-ichi Nomura +2
In this study, we derive the heat flux formula for the Allegro model, one of machine-learning interatomic potentials using the equivariant deep neural network, to calculate lattice…