On the global minimum of the classical potential energy for clusters bound by many-body forcesThis note establishes, first of all, the monotonic increase with N of the average K-body energy of classical N-body ground state configurations with N≥ K monomers that interact solely…Michael K. -H. Kiessling, David J. Wales·Dec 2, 2023SaveLearn
Improved action for contact effective field theoryWe present an improved action for renormalizable effective field theories (EFTs) of systems near the two-body unitarity limit. The ordering of EFT interactions is constrained, but not entirely fixed,…L. Contessi, M. Schäfer, U. van Kolck·Oct 24, 2023SaveLearn
Quantifying errors of the electron-proton/muon correlation functionals through the Kohn-Sham inversion of a two-component model systemThe multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the…Nahid Sadat Riyahi, Mohammad Goli, Shant Shahbazian·Oct 3, 2023SaveLearn
Single-molecule motion controlAchieving dynamic manipulation and control of single molecules at high spatio-temporal resolution is pivotal for advancing atomic-scale computing and nanorobotics. However, this endeavour is…Divyam Neer Verma, KV Chinmaya, Jan Heck et al.·Sep 26, 2023SaveLearn
Machine-Learned Potential Energy Surfaces for Free Sodium Clusters with Density Functional Accuracy: Applications to MeltingGaussian Process Regression-based Gaussian Approximation Potential has been used to develop machine-learned interatomic potentials having density-functional accuracy for free sodium clusters. The…Balasaheb J. Nagare, Sajeev Chacko, Dilip. G. Kanhere·Sep 16, 2023SaveLearn
Atomistic modelling and structural characterisation of coated gold nanoparticles for biomedical applicationsThis study presents the results of atomistic structural characterisation of 3.7 nm diameter gold nanoparticles (NP) coated with polymer polyethylene glycol (PEG)-based ligands of different lengths…Matthew D. Dickers, Alexey V. Verkhovtsev, Nigel J. Mason et al.·Sep 5, 2023SaveLearn
Neuromorphic nanocluster networks: Critical role of the substrate in nano-link formationAtomic cluster-based networks represent a promising architecture for the realization of neuromorphic computing systems, which may overcome some of the limitations of the current computing paradigm.…Wenkai Wu, Alexey V. Verkhovtsev, Theodoros Pavloudis et al.·Sep 5, 2023SaveLearn
Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networksNeuromorphic computing systems may be the future of computing and cluster-based networks are a promising architecture for the realization of these systems. The creation and dissolution of synapses…Wenkai Wu, Theodoros Pavloudis, Alexey V. Verkhovtsev et al.·Sep 5, 2023SaveLearn
Melting, bubble-like expansion and explosion of superheated plasmonic nanoparticlesWe report on time-resolved coherent diffraction imaging of gas-phase silver nanoparticles, strongly heated via their plasmon resonance. The x-ray diffraction images reveal a broad range of phenomena…Simon Dold, Thomas Reichenbach, Alessandro Colombo et al.·Sep 1, 2023SaveLearn
Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a SurfaceWe demonstrate that a sodium dimer, Na2(13u+), residing on the surface of a helium nanodroplet, can be set into rotation by a nonresonant 1.0 ps infrared laser pulse. The…Lorenz Kranabetter, Henrik H. Kristensen, Areg Ghazaryan et al.·Aug 29, 2023SaveLearn
Reaction Pathways of Water Dimer Following Single IonizationWater dimer (H2O)2 -- a vital component of the earth's atmosphere -- is an important prototypical hydrogen-bonded system. It provides direct insight into fundamental chemical and…Ivo S. Vinklárek, Hubertus Bromberger, Nidin Vadassery et al.·Aug 15, 2023SaveLearn
Velocity Map Imaging with No Spherical AberrationsVelocity map imaging (VMI) is a powerful technique that allows to infer the kinetic energy of ions or electrons that are produced from a large volume in space with good resolution. The size of the…Yehuda Ben-Shabo, Adeliya Kurbanov, Claus Dieter Schroter et al.·Aug 2, 2023SaveLearn
Size distributions in irreversible particle aggregationThe aggregation of particles in the free molecular regime is determined approximately for situations with a high degree of translational energy equilibration. The mean particle sizes develop linearly…Klavs Hansen·Jul 27, 2023SaveLearn
Substrate-Selective Adhesion of Metal Nanoparticles to Graphene DevicesNanostructured electronic devices, such as those based on graphene, are typically grown on top of the insulator SiO2. Their exposure to a flux of small size-selected silver nanoparticles has revealed…Patrick J. Edwards, Sean Stuart, James T. Farmer et al.·Jul 12, 2023SaveLearn
Quantized vortex nucleation in collisions of superfluid nanoscopic helium droplets at zero temperatureWe address the collision of two superfluid 4 He droplets at non-zero initial relative velocities and impact parameters within the framework of liquid 4 He time-dependent density functional theory at…Ernesto García-Alfonso, Francesco Ancilotto, Manuel Barranco et al.·Jul 6, 2023SaveLearn
Ultrafast nonadiabatic electron dynamics in photoexcited C60: A comparative study among DFT exchange-correlation functionalsThe non-radiative electron-relaxation dynamics in C60 molecule is studied after selective initial photoexcitations. The methodology includes nonadibabtic molecular simulation combined with…Esam Ali, Mohamed El-Amine Madjet, Ruma De et al.·Jun 28, 2023SaveLearn
Secondary ionization of pyrimidine nucleobases and their microhydrated derivatives in helium nanodropletsRadiation damage in biological systems by ionizing radiation is predominantly caused by secondary processes such as charge and energy transfer leading to the breaking of bonds in DNA. Here, we study…Jakob D. Asmussen, Abdul R. Abid, Akgash Sundaralingam et al.·Jun 21, 2023SaveLearn
Collective States in Molecular Monolayers on 2D MaterialsCollective excited states form in organic two-dimensional layers through the Coulomb coupling of the molecular transition dipole moments. They manifest as characteristic strong and narrow peaks in…Sabrina Juergensen, Moritz Kessens, Charlotte Berrezueta-Palacios et al.·Jun 18, 2023SaveLearn
Dopant ionization and efficiency of ion and electron ejection from helium nanodropletsPhotoionization spectroscopy and mass spectrometry of doped helium (He) nanodroplets rely on the ability to efficiently detect ions and/or electrons. Using a commercial quadrupole mass spectrometer…Jakob D. Asmussen, Ltaief Ben Ltaief, Keshav Sishodia et al.·May 31, 2023SaveLearn
Testing Lennard-Jones Clusters for OptimalityThis note advertises a simple necessary condition for optimality that any list N vx(N) of computer-generated putative lowest average pair energies vx(N) of clusters that consist of N…Michael K. -H. Kiessling·May 17, 2023SaveLearn
XUV fluorescence as a probe of laser-induced helium nanoplasma dynamicsXUV fluorescence spectroscopy provides information on energy absorption and dissipation processes taking place in the interaction of helium clusters with intense femtosecond laser pulses. The present…Malte Sumfleth, Andreas Przystawik, Mahesh Namboodiri et al.·May 17, 2023SaveLearn
Electron energy loss and angular asymmetry induced by elastic scattering in helium dropletsHelium nanodroplets are ideal model systems to unravel the complex interaction of condensed matter with ionizing radiation. Here we study the effect of purely elastic electron scattering on angular…Jakob D. Asmussen, Keshav Sishodia, Björn Bastian et al.·May 9, 2023SaveLearn
Temporal control of high-order harmonic cutoffs in periodic crystalsA theoretical study on the high-harmonic generation (HHG) in solids by a synthesized driver field is carried out. The vector potential of the driver field is instrumental in determining the Bloch…Nivash R., Amol R Holkundkar, Jayendra N. Bandyopadhyay·May 1, 2023SaveLearn
Dissociation dynamics in low energy electron attachment to nitrogen dioxideComplete dissociation dynamics of low energy electron attachment to nitrogen dioxide around 8.5 eV resonance has been studied using a velocity map imaging (VMI) spectrometer. Besides the three…Anirban Paul, Dipayan Biswas, Dhananjay Nandi·Apr 24, 2023SaveLearn
Long-lasting XUV activation of helium nanodroplets for avalanche ionizationWe study the dynamics of avalanche ionization of pure helium nanodroplets activated by a weak extreme-ultraviolet (XUV) pulse and driven by an intense near-infrared (NIR) pulse. In addition to a…C. Medina, A. Ø. Lægdsmand, L. Ben Ltaief et al.·Apr 13, 2023SaveLearn