60 citations · 528 across the 34 of their papers we have counts for
35 papers
Scaling Dependencies in Irradiation-Driven Molecular Dynamics Simulations: Case Study of W(CO) Fragmentation
Soumyo Kheto, Alexey Verkhovtsev, Bobby Antony +1
Irradiation-driven fragmentation and chemical transformations of organometallic molecules play a central role in nanofabrication techniques based on the use of focused charged-part…
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
Andrey V. Solov'yov, Alexey V. Verkhovtsev, Nigel J. Mason +20
This paper reviews the new highly interdisciplinary research field studying the behavior of condensed matter systems exposed to radiation. The paper highlights several relevant exa…
Atomistic modelling and structural characterisation of coated gold nanoparticles for biomedical applications
Matthew D. Dickers, Alexey V. Verkhovtsev, Nigel J. Mason +1
This 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 d…
Topical Issue "Dynamics of Systems on the Nanoscale (2021)". Editorial
Alexey V. Verkhovtsev, Vincenzo Guidi, Nigel J. Mason +1
Exploration of the structure formation and dynamics of animate and inanimate matter on the nanometer scale is a highly interdisciplinary field of rapidly emerging research. It is r…
Neuromorphic nanocluster networks: Critical role of the substrate in nano-link formation
Wenkai Wu, Alexey V. Verkhovtsev, Theodoros Pavloudis +2
Atomic cluster-based networks represent a promising architecture for the realization of neuromorphic computing systems, which may overcome some of the limitations of the current co…
Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
Wenkai Wu, Theodoros Pavloudis, Alexey V. Verkhovtsev +2
Neuromorphic 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 dissolu…
Computational characterization of novel nanostructured materials: A case study of NiCl
Elizaveta B. Kalika, Alexey V. Verkhovtsev, Mikhail M. Maslov +2
A computational approach combining dispersion-corrected density functional theory (DFT) and classical molecular dynamics is employed to characterize the geometrical and thermo-mech…
Role of the molecular environment in quenching the irradiation-driven fragmentation of Fe(CO): a reactive molecular dynamics study
Benjamin Andreides, Alexey V. Verkhovtsev, Juraj Fedor +1
Irradiation-driven fragmentation and chemical transformations of molecular systems play a key role in nanofabrication processes where organometallic compounds break up due to the i…
Mechanisms of radiation-induced structural transformations in deposited gold clusters
Alexey V. Verkhovtsev, Yury Erofeev, Andrey V. Solov'yov
Physical mechanisms of structural transformations in deposited metallic clusters exposed to an electron beam of a transmission electron microscope (TEM) are studied theoretically a…
Atomistic modeling of thermal effects in focused electron beam induced deposition of MeAu(tfac)
Alexey Prosvetov, Alexey V. Verkhovtsev, Gennady Sushko +1
The role of thermal effects in the focused electron beam induced deposition (FEBID) process of MeAu(tfac) is studied by means of irradiation-driven molecular dynamics simulatio…
Atomistic simulation of the FEBID-driven growth of iron-based nanostructures
Alexey Prosvetov, Alexey V. Verkhovtsev, Gennady Sushko +1
The growth of iron-containing nanostructures in the process of focused electron beam-induced deposition (FEBID) of Fe(CO) is studied by means of atomistic irradiation-driven mo…
Irradiation driven molecular dynamics: A review
Alexey V. Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov
This paper reviews Irradiation Driven Molecular Dynamics (IDMD) - a novel computational methodology for atomistic simulations of the irradiation driven transformations of complex m…
Advances in multiscale modeling for novel and emerging technologies
Alexey V. Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yov
Computational multiscale modeling encompasses a wide range of end-products and a great number of technological applications. This paper provides an overview of the computational mu…
Modeling the effect of ion-induced shock waves and DNA breakage with the reactive CHARMM force field
Ida Friis, Alexey V. Verkhovtsev, Ilia A. Solov'yov +1
Ion-induced DNA damage is an important effect underlying ion-beam cancer therapy. This paper introduces the methodology of modeling DNA damage induced by a shock wave caused by a p…
Irradiation driven molecular dynamics simulation of the FEBID process for Pt(PF)
Alexey Prosvetov, Alexey V. Verkhovtsev, Gennady B. Sushko +1
This paper presents a detailed computational protocol for atomistic simulation of the formation and growth of metal-containing nanostructures during the Focused Electron Beam Induc…
Molecular dynamics characterisation of radiosensitising coated gold nanoparticles in aqueous environment
Alexey V. Verkhovtsev, Adam Nichols, Nigel J. Mason +1
Functionalized metal nanoparticles (NPs) have been proposed as promising radiosensitizing agents for more efficient radiotherapy treatment using photons and ion beams. Radiosensiti…
Lethal DNA damages caused by ion-induced shock waves in cells
Ida Friis, Alexey V. Verkhovtsev, Ilia A. Solov'yov +1
The elucidation of fundamental mechanisms underlying ion-induced radiation damage of biological systems is crucial for the advancement of radiotherapy with ion beams and for radiat…
Molecular dynamics simulations of sodium nanoparticle deposition on magnesium oxide
Yannick Fortouna, Pablo de Vera, Alexey Verkhovtsev +1
The interaction of mass-selected atomic clusters and nanoparticles with surfaces attracts strong interest in view of fundamental research and technological applications. Understand…
Soft landing of metal clusters on graphite: a molecular dynamics study
Alexey V. Verkhovtsev, Yury Erofeev, Andrey V. Solov'yov
Structure and stability of 3 nm size Ag, Au and Ti clusters deposited on graphite under soft-landing conditions ( eV per atom) are studi…
Generalized correction to embedded-atom potentials for modeling equilibrium and non-equilibrium properties of metals
Alexey Verkhovtsev, Andrei V. Korol, Gennady Sushko +2
A modification of an embedded-atom method (EAM)-type potential is proposed for a quantitative description of equilibrium and non-equilibrium properties of metal systems within the…
Reactive molecular dynamics simulations of organometallic compound W(CO)6 fragmentation
Pablo de Vera, Alexey Verkhovtsev, Gennady Sushko +1
Irradiation- and collision-induced fragmentation studies provide information about geometry, electronic properties and interactions between structural units of various molecular sy…
Phenomenon-based prediction of relative biological effectiveness of ion beams by means of the MultiScale Approach
Alexey Verkhovtsev, Eugene Surdutovich, Andrey V. Solov'yov
Relative biological effectiveness (RBE) is a key quantity for the description of radiobiological effects induced by charged-particle irradiation in the context of ion-beam cancer t…
Transport of secondary electrons through coatings of ion-irradiated metallic nanoparticles
Kaspar Haume, Pablo de Vera, Alexey Verkhovtsev +3
The transport of low-energy electrons through the coating of a radiosensitizing metallic nanoparticle under fast ion irradiation is analyzed theoretically and numerically. As a cas…
Ion-impact-induced multifragmentation of liquid droplets
Eugene Surdutovich, Alexey Verkhovtsev, Andrey V. Solov'yov
An instability of a liquid droplet traversed by an energetic ion is explored. This instability is brought about by the predicted shock wave induced by the ion. An observation of mu…