Head of Division – Dr. Anatoly V. Titov
The Advanced Development Division (ADD) consists of six departments.
the Laboratory of Chemistry and Spectroscopy of Carbon Materials (headed by Dr. M. V. Suyasova),
the Composite Nanomaterials Group (Dr. A. A. Borisenkova),
the Radiation Modification of Materials Group (Dr. Zh. B. Lyutova),
the New Materials Synthesis Technology Group (V. P. Sedov).
the Group of Laser and Holographic Information and Measurement Systems (L. V. Konstantinov),
the Group of Photophysics (Dr. N. V. Kamanina),
the Thermal Explosion Group (Dr. A. S. Kadyrov).
the Laboratory of Information and Computing Systems (headed by S.B. Oleshko).
the Laboratory of Quantum Chemistry (headed by Dr. A. N. Petrov),
the Quantum Mechanics Group (Dr. A. V. Titov),
the Group on Nuclear and Elementary Particle Physics in Molecules (Dr. L. V. Skripnikov),
the Relativistic Many-Body Systems Group (Dr. A. V. Zaitsevsky),
the Muon Group (Dr. O. Yu. Andreev),
and the group of Quantum Electrodynamics of Atomic Systems (Dr. V. M. Shabaev).
About the Division
The Advanced Development Division is the Institute’s newest scientific and technical division. The decision to establish the division was made in 2013 in response to the need to make more effective use of the research and innovation capabilities of the departments that became part of it.
Currently, the ADD’s instrumentation infrastructure comprises the Institute’s basic accelerator facilities, which are operated by the Accelerator Department (AD). First of all, it is a unique synchrocyclotron with an energy of 1 000 MeV, SC-1000, with a current of 1 µA of the output beam. The synchrocyclotron SC-1000 allows conducting a wide range of scientific and applied studies in various fields – from nuclear physics to medicine.
The objectives of the Accelerator Department are:
Advances in space and aviation technology are largely driven by the use of micro- and nanoelectronic components. One of the main conditions for their successful use is their longterm robust performance in the radiation fields of outer space and the upper atmosphere. The department’s staff have designed, built, certified, and commissioned test benches for studying the radiation resistance of electronic components in proton and neutron beams. Since 2015, these test benches have served as the basis for a specialized center for radiation testing of radio-electronic equipment using protons with energies of 60–1,000 MeV and neutrons with a spectrum that replicates that of atmospheric neutrons, allowing for comprehensive testing of radio-electronic equipment in a single test cycle.
In 2016, the Accelerator Department of the ADD and the Efremov Scientific Research Institute of Electrophysical Apparatus have joined efforts to launch an isochronous cyclotron C-80 with a variable proton energy of 40–80 MeV and a current of the output beam up to 100 µA. The high energy of the accelerated beam combined with the high intensity allows the production of high-quality radioisotopes and radiopharmaceuticals that are not available for commercial cyclotrons, in particular generator isotopes. Generator isotopes pave the way for positron emission tomography (PET) at medical centers located far from cyclotrons.
Work is currently underway on projects of the onco-ophthalmological and radioisotope complex based on C-80 (the “OKO” and “ISOTOPE” projects). The “ISOTOPE” project also aims to develop a method for producing ultra-pure medical isotopes using a magnetic separator. The energy range of the proton beam (60–70 MeV) of the C-80 cyclotron makes it possible to establish what is currently the only ophthalmology center in Russia dedicated to proton therapy for eye cancers.
The Laboratory of Accelerator Physics and Technology (LAPT) within the Accelerator Department specializes in calculating magnetic fields for various systems, designing magnetic structures, studying the dynamics of charged particles in accelerators, and developing software to optimize charged-particle transport paths. Software products are being developed. Thus, the LAPT performed the calculations that served as the basis for the development of the SC-1000 beam energy adjustment system, capable of operating in the 60–900 MeV energy range, and for the optimization of the beam transport path. Based on calculations by the LAPT, the magnetic field of the C-80 cyclotron was modeled, the beam extraction system for the C-80 cyclotron was designed, transportation paths to the target stations for isotope production and a proton beam path for medical applications have been designed and proposed in the “OKO” and “ISOTOPE” projects.
In 2023, the scope of the certified quality management system (QMS) of the Accelerator Department was expanded, and the QMS now complies with the requirements of GOST R ISO 9001-2015, GOST RV 0015-002-2020, and the standards SRPP VT and OST 134-1028-2012, Amendment 2. The implementation and certification of a quality management system was a strategic decision by the Division’s management, aimed at implementing its quality policy.
The main objectives of the Department of Applied Nuclear Physics (DANP) are:
The Department of Nanostructured Materials (DNM) was established in 2023 with the aim of coordinating research on the synthesis, study of properties, and application of materials of diverse composition, whose physicochemical properties are determined by the presence of specific structures (crystalline defects, aggregates, clusters, layers, pores, etc.) with characteristic sizes ranging from 1 to 100 × 10-9 m. Special attention is given to studies focusing on a specific allotropic form of carbon—fullerenes, hollow spherical structures composed of carbon atoms. Fullerenes and their derivatives (fullerenes, endohedral fullerenes, etc.) are promising materials for use in scientific fields such as organic synthesis, various areas of medicine (nuclear medicine, contrast-enhanced X-ray diagnostics, theranostics, stenting), radio-absorbing coating technology, and other applications.
The Laboratory of Chemistry and Spectroscopy of Carbon Materials is developing new derivatives of fullerenes and endometallfullerenes and investigating their physicochemical properties, radiation resistance, and self-assembly in aqueous solutions.
The Composite Materials Group focuses primarily on researching new derivatives of lutetium endometallfullerenes combined with folic acid for targeted delivery to tumor cells.
The Radiation Modification of Materials Group is conducting research on the radiation-induced synthesis of fullerene complexes with biopolymers. Specifically, in 2023, the group conducted a test study on the radiation-chemical synthesis of biocompatible polymers based on polyvinylpyrrolidone (PVP) and copolymers with fullerene С60.
The New Materials Synthesis Technology Group is constantly refining existing methods and developing new approaches to the synthesis of fullerenes, endofullerenes, nanotubes, and other carbon-based nanostructured nanomaterials.
The Department of Optical and Information Technologies is pursuing three main areas of research.
The Laboratory of Holographic Information and Measurement Systems (LHIMS) of the ADD is one of the world leaders in the field of precision measurements at the nanometer scale. To carry out these studies, the LHIMS has a modern, unique underground vibration-free holographic laboratory. On the basis of this laboratory and the test benches for the synthesis of linear and radial holographic diffraction gratings, 14 types of nanotechnological equipment and devices have been produced, including: photovoltaic converters of linear and angular displacements, long meters,two-, three-, four-, and more coordinate measuring machines, radius meters, plane meters, turntables for measuring with the resolution of 10 nm and hundredths of a second.
The Photophysics Group conducts cutting-edge scientific research in the following areas:
The Thermal Explosion Group, using mathematical modeling methodologies, conducts research in the field of technologies for predicting, preventing, and mitigating the consequences of accidents and disasters caused by the thermal explosion of energy-rich substances and materials at hazardous facilities in the industrial, transportation, aerospace, and defense sectors.
For many years, the Department of Information Technology and Automation (DITA) of the ADD has been actively involved in the ATLAS project of the Large Hadron Collider at CERN. Employees of the Laboratory of Information and Computing Systems are engaged in the development and support of various software systems for the detector control system (DCS) of the ATLAS experiment. The Department also supports the local computer network of the Institute, various information and computing systems based on Web technologies, as well as informationsystems to support the administrative and economic activities of the Institute. The department’s design and technology group participates in the design and fabrication of prototypes of devices and components for experimental physics facilities in which the Institute is involved. These include work under the PROTON program to conduct research on the PS1 muon beam (CERN) using the IKAR facility, the development of an Infrared (IR) detection system for the Facility for Antiproton and Ion Research (FAIR) in Darmstadt, and preliminary design work on the fission fragment multiplicity study (FISCO) facility as part of the research program at the PIK reactor.
The Department of Quantum Physics and Chemistry specializes in developing methods for electronic structure calculations of molecules and materials containing heavy atoms, such as actinides, lanthanides, and heavy transition metals. The goal is to develop methods and programs that enable highly accurate calculations to be performed with minimal computational effort. This can be achieved using “two-step” approaches, in which the calculation of the electronic structure of molecules containing heavy atoms and their physicochemical properties is divided into two sequential calculations: first, calculating the valence region of a chemical compound using precise relativistic pseudopotentials, see Department's website), and then restoring (reconstructing) the four-component wavefunction in the cores of heavy atoms. This activity was initiated by theoretical developments of Professor Leonty N. Labzovskii and by the experimental studies of the non-conservation of time invariance (T) and spatial parity (P), including searches for the hypothetical “electron electric dipole moment” (eEDM). The search for manifestations of “new physics” beyond the Standard Model continues today in research conducted by members of the Laboratory of Quantum Chemistry and the Group for Nuclear and Elementary Particle Physics in Molecules. For over 30 years, the accuracy achieved in these calculations has remained the world record.
Since the initial calculations were made, the range of systems planned for the e-EDM search has changed. The shift toward using polyatomic molecules in e-EDM searches is a major advancement in the field. As first demonstrated in the works of Laboratory of Quantum Chemistry, the physics of T,P-odd effects in such systems is more complex and is currently the subject of further research. The theory of molecules in external time-varying fields, currently being developed at the Laboratory of Quantum Chemistry, has proven to be very fruitful for studying systematic effects in experiments designed to detect T,P-odd effects.
Another important area of research at the Laboratory of Quantum Chemistry is the building of precise generalized relativistic effective core potentials (GRECPs) (or “Gatchina” relativistic pseudopotentials, GRPPs) for atoms, including variants of GRPP with an “ultra-small core” for actinides and those with an “empty core” for light elements. This generalization of the relativistic pseudopotential method, which we proposed earlier and which is widely used to reduce computational costs in calculations of the electronic structure and physicochemical properties of molecules, clusters, and crystals, has enabled us to increase the accuracy of pseudopotential calculations by an order of magnitude or more. Presently, GRECPs (Gatchina relativistic pseudopotentials, GRPPs) are generated for all the elements of Mendeleev Periodic Table and are available at the Department's website.
Finally, the Laboratory of Quantum Chemistry is actively conducting theoretical research on the electronic structure and properties of organometallic compounds and functionalized endohedral fullerenes for nuclear medicine, MRI, and other applications.
The Group for Nuclear and Elementary Particle Physics in Molecules also conducts research on neutral and lightly charged atoms and molecules, with the aim of gaining insights into the properties of the atomic nucleus: root-mean-square charge radius, multipole moments, magnetic moment distribution, etc. The theoretical and software developments obtained make it possible to interpret experiments on the measurement of isotopic shifts and hyperfine structure—including those conducted at the facilities of NRC "Kurchatov Institute" - PNPI —in terms of these fundamental properties of nuclei, as well as to propose new experiments.
Over the past decade, the department’s staff have expanded their research beyond the physical and chemical properties of small molecules and clusters; they have moved on to studying a broader range of physical and chemical properties and more complex structures, specifically focusing on calculating the electronic structure of materials containing heavy atoms as impurities or as unit cell atoms. The “compound-tunable embedding potential” or CTEP method, developed by the Quantum Mechanics Group based on “two-step” approaches for a selected crystal fragment, allows for a highly accurate description of the effect of the environment on a given fragment; consequently, the electronic structure of the crystal fragment itself is also reproduced with good accuracy. Compared to the extended cell methods, point defects are much simpler considered in materials within the framework of cluster calculations with CTEP and with an accuracy unattainable for computational methods using the periodic boundary conditions. In the cluster case with CTEP, the computational errors can be less than 0.1 eV for valence energies (~0.01 eV in prospect that is provided by the GRECP and CTEP approximations); it is possible to take into account local symmetry within the fragment that is breaking the crystal one; relativistic effects (including Breit and quantum electrodynamic); electron correlation within the framework of the wave function theory; correctly consider charged fragments of crystals and those including atoms with partially occupied core shells; study the localized (nonlinear) quantum processes, etc.
The main focus of the Relativistic Many-Particle Systems Group is the development of new methods for the precise modeling of the electronic structure and properties of heavy-element compounds based on the advancement of the theory of relativistic many-electron systems, primarily relativistic versions of the theory of bound clusters and the many-particle perturbation theory for multidimensional model spaces. These new developments are primarily aimed at characterizing excited electronic states and electronic transitions. Simulation technologies developed by researchers at the Relativistic Many-Particle Systems Group, the Group for Nuclear and Elementary Particle Physics in Molecules, Quantum Mechanics Group, and the Laboratory of Quantum Chemistry have enabled systematic studies of the properties of molecules and materials containing lanthanides, actinides, and heavy transition metals, as well as conducting the most accurate studies of the chemical and spectroscopic properties of compounds of superheavy elements within the “island of stability” using the most advanced versions of the theory of bound clusters and the Gatchina relativistic pseudopotential.
The Muon Group develops methods and software packages for describing the interaction of muons with ions, atoms, and solids. Modeling the interaction of clusters with muons is necessary for interpreting experimental data on the local magnetic properties of materials obtained at muSR setups. Specifically, for research at the muSR setup operated by the NRC "Kurchatov Institute" – PNPI.
The Muon Group also performs simulations of the lattice isolation of atoms and molecules using quantum chemistry methods. This field is a critically important area of research aimed at performing precision spectral measurements and evaluating the reactivity of the chemical elements under study in matrices. Solving these problems requires specific numerical methods within the framework of many-body interaction theory, which allow for accurate calculations to be completed in a short period of time. The effect of the matrix environment of inert gases on spectral characteristics can be effectively accounted for only through the comprehensive use of numerical methods and software. The study of these issues plays a significant role in the interpretation of experimental data for individual atoms and molecules in matrices.
The Group of Quantum Electrodynamics of Atomic Systems conducts quantum electrodynamic studies of the properties of multicharged ions (energy levels, transition probabilities, and cross sections for collisions between ions and elementary particles and light atoms). Other areas of the group's research include investigating the possibility of observing the spontaneous creation of electron-positron pairs in supercritical fields, relativistic calculations of the electronic structure of superheavy elements, the development of algorithms for calculating electronic structures on high-performance computers, and other tasks.
The Department of Quantum Physics and Chemistry publishes more than 30 articles a year in leading international and Russian scientific journals.
