Victor Milman | Materials Science | Best Researcher Award

Dr. Victor Milman | Materials Science | Best Researcher Award

Dr. Victor Milman | Materials Science | Dassault Systemes UK Ltd | United Kingdom

Dr. Victor Milman, an accomplished physicist and computational materials scientist, currently serves as Head of the BIOVIA Science Council and R&D Applications Director at Dassault Systèmes BIOVIA in Cambridge, UK. He earned his PhD from the Institute of Metal Physics, Ukrainian Academy of Sciences, in 1989, following an honors degree from the Moscow Institute of Physical Engineering. With over three decades of experience, Dr. Milman has pioneered advancements in quantum mechanical modeling, nanotechnology, and materials simulation software, significantly contributing to the development of CASTEP and other computational tools. His research spans the electronic structure, elasticity, and high-pressure behavior of materials, with more than 220 peer-reviewed publications and an h-index of 46. A respected leader bridging academia and industry, Dr. Milman has played a vital role in fostering global collaborations that advance scientific discovery in materials science and computational chemistry.

Author Profiles

Orcid 

Google Scholar

Education 

Dr. Victor Milman’s academic journey began at the prestigious Moscow Institute of Physical Engineering (PhysTech), where he studied in the Department of Problems of Physics and Energetics from 1978 to 1984, graduating with honors. His rigorous undergraduate training provided a strong foundation in theoretical physics, solid-state science, and advanced computational methods. While working as a junior research associate, he pursued postgraduate studies at the Institute of Metal Physics, Ukrainian Academy of Sciences, ultimately earning his PhD in 1989. His doctoral research focused on pseudopotential models, lattice dynamics, and cohesive energy calculations for transition metals and alloys, laying the groundwork for his later innovations in computational materials science. This blend of deep theoretical understanding and applied research experience prepared Dr. Milman for a distinguished career that bridges scientific inquiry, high-performance computing, and industrial applications, making him a global authority in quantum mechanical simulations of solids and nanostructured materials.

Experience 

Dr. Milman’s career spans academia, national laboratories, and industry leadership. He began as a researcher at the Institute of Metal Physics in Kiev before moving to the Cavendish Laboratory, University of Cambridge, where he contributed to developing the CASTEP software for quantum simulations. His international experience includes a fellowship at Oak Ridge National Laboratory in the USA, where he led advanced ab initio studies of surfaces and interfaces. Joining Molecular Simulations Inc. (later Accelrys) in 1994, he rose to Senior Fellow, managing nanotechnology and quantum mechanics R&D. Following the Accelrys-Dassault Systèmes merger, he became Head of the BIOVIA Science Council and R&D Applications Director, guiding global materials science software innovation. His leadership has shaped high-performance modeling tools used by researchers worldwide, integrating academic partnerships and industrial applications to accelerate discovery in materials design, solid-state physics, and computational chemistry.

Awards and Honors 

Over his distinguished career, Dr. Victor Milman has been recognized for his groundbreaking contributions to computational materials science and quantum mechanical modeling. His role in the development of CASTEP and other high-impact simulation tools has earned him industry-wide respect and invitations to serve as a scientific leader in international consortia. He has received institutional commendations for his strategic leadership at Accelrys and Dassault Systèmes, particularly for advancing materials science software to global markets. His numerous highly cited publications, including papers exceeding 2,000 citations, underscore his influence in the scientific community. Beyond formal honors, Dr. Milman’s appointment as Head of the BIOVIA Science Council reflects peer recognition of his ability to merge scientific excellence with organizational vision. His mentorship of young scientists, coordination of cross-disciplinary research, and sustained contributions to high-performance computational methods stand as lasting hallmarks of his professional recognition.

Research Focus 

Dr. Milman’s research centers on the application and development of quantum mechanical and ab initio computational methods to study the structural, electronic, and mechanical properties of materials. His expertise spans density functional theory (DFT), pseudopotential plane-wave methods, and hybrid modeling techniques that integrate quantum and molecular mechanics approaches. His work addresses fundamental questions in solid-state physics, including phase stability, elasticity, defect behavior, and high-pressure transformations of materials. He has extensively studied transition metals, ceramics, nitrides, borides, and novel allotropes under extreme conditions. Additionally, he has made major contributions to nanotechnology, surface science, and electronic transport modeling. Dr. Milman’s research is deeply interdisciplinary, interfacing with chemistry, physics, and engineering to provide computational solutions for material discovery and design. By linking industrial requirements with academic innovation, his work has accelerated the practical application of materials modeling in aerospace, energy, semiconductors, and nanostructured systems.

Publications

  1. Electronic structure, properties and phase stability of inorganic crystals: A pseudopotential plane-wave study.

  2. Density functional study of bulk and surface properties of titanium nitride.

  3. Elasticity of hexagonal BeO.

  4. Water chemisorption and reconstruction of the MgO surface.

  5. Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation.

  6. Fracture surfaces: A critical review of fractal studies and morphological analysis of STM measurements.

  7. Elastic properties of TiB2 and MgB2.

  8. Novel rhenium nitrides.

  9. Role of disorder in the thermodynamics and atomic dynamics of glasses.

  10. High-pressure polymeric nitrogen allotrope with black phosphorus structure.

  11. Structural, electronic and vibrational properties of tetragonal zirconia under pressure: A DFT study.

Conclusion

Dr. Victor Milman’s career exemplifies the integration of scientific excellence, software innovation, and global collaboration. His pioneering work in computational materials science, leadership in developing widely used simulation tools, and deep engagement with both academia and industry make him a transformative figure in the field. His research has not only advanced theoretical understanding but also delivered practical applications that impact energy, manufacturing, and technology sectors worldwide.

Alexander Cholach | Materials Science | Best Researcher Award

Dr. Alexander Cholach | Materials Science | Best Researcher Award

Dr. Alexander Cholach, Boreskov Institute of Catalysis, Russia

Dr. Alexander Cholach is a Senior Researcher at the Federal Research Centre Boreskov Institute of Catalysis in Novosibirsk, Russia. With over four decades of deep engagement in materials science and catalysis, his work centers around the physico-chemical properties of catalysts at the atomic and molecular levels. A graduate of Novosibirsk State University, Dr. Cholach earned his Ph.D. in 1986 with a pioneering thesis on catalytic decomposition kinetics. His extensive contributions include 47 peer-reviewed publications, multiple book chapters, and a patent. Renowned for his research in isotope separation, electronic properties, and heterogeneous catalysis, he has actively led national scientific projects funded by the Russian Science Foundation. With a strong focus on mechanistic understanding and electron excitation phenomena, Dr. Cholach’s work bridges theoretical chemistry and real-world catalytic applications. His scholarly excellence and continuous innovation make him a strong candidate for recognition in the field of Materials Science.

Profile

Scopus

Orcid

Suitability Summary for Research for Best Researcher Award: Alexander Cholach

Alexander Cholach is a highly accomplished senior researcher at the prestigious Federal Research Centre Boreskov Institute of Catalysis, with a distinguished academic and research career spanning over four decades. His academic foundation is robust, beginning with specialized scientific education at Novosibirsk State University, followed by a PhD focused on catalytic reaction kinetics—reflecting deep expertise in physical chemistry and catalysis.

His current research portfolio demonstrates leadership in advanced physico-chemical investigations at the atomic and molecular levels, with ongoing projects funded by major Russian scientific agencies such as the Russian Science Foundation. This underlines his active role in cutting-edge science and innovation. Notably, his work in isotope separation, catalytic reaction mechanisms, and electronic surface properties bridges fundamental theory with practical applications, marking him as a thought leader in heterogeneous catalysis.

🎓 Education 

Dr. Cholach’s academic journey began at the M.A. Lavrentiev Specialized Educational and Scientific Centre of Novosibirsk State University from 1973–1975. He continued his higher education at Novosibirsk State University, completing his degree in Chemistry in 1980. There, he laid a strong foundation in chemical kinetics, surface chemistry, and catalysis. Pursuing advanced research, he earned his Ph.D. in 1986 with a thesis titled “The relationship between adsorption properties and the kinetics of the reaction of catalytic decomposition of ammonia on Fe, W, Re, Ir, Rh.” Under the supervision of prominent scientists Prof. V. Gorodetsky and Prof. V. Sobyanin, Dr. Cholach developed expertise in material-surface interactions and catalytic behavior. His education was grounded in both theoretical and applied science, preparing him to tackle complex challenges in catalysis and materials development. This robust academic preparation continues to guide his cutting-edge research.

💼 Professional Experience 

Dr. Alexander Cholach has devoted his professional career to the Federal Research Centre Boreskov Institute of Catalysis, where he has been a permanent associate since 1986. He is currently a Senior Researcher in the Department of Physico-Chemical Research at the Atomic and Molecular Level. Over the decades, he has led and contributed to a variety of high-impact research projects funded by the Russian Science Foundation and other federal agencies. His international collaboration with Leiden University (1993–1994) under Prof. B.E. Nieuwenhuys broadened his scientific horizon, enabling cross-border knowledge exchange. His research integrates experimental science with density functional theory (DFT) modeling. Dr. Cholach has not only advanced fundamental understanding in catalysis and isotope separation but also contributed to applied solutions in materials science. Despite rejecting offers of professional memberships, his work remains globally recognized through his publications, collaborations, and scholarly achievements.

🏅 Awards and Recognition 

Though Dr. Cholach has modestly avoided organizational memberships and industrial consultancy roles, his academic contributions speak volumes. His work has earned high visibility within the international scientific community, reflected in an h-index of 8 (WOS) and 9 (Scopus). He has been entrusted with leading state-assigned and federally funded research projects, a testament to his expertise and scientific integrity. He has contributed chapters to four significant scientific books and published 47 research articles in reputed journals. In addition to these scholarly outputs, he holds a patent that underscores his ability to translate theory into innovation. His collaborations with global institutions, notably Leiden University, and leadership in pioneering isotope separation research, further highlight his international stature. Recognition of Dr. Cholach’s excellence is embedded in the continual trust and support he receives from major scientific foundations and institutions.

🌍 Research Skill On Materials Science

Dr. Cholach’s research is focused on cutting-edge areas of Materials Science, including isotope separation, heterogeneous catalysis, and surface and bulk electronic properties. His work integrates experimental surface science with computational DFT studies to uncover the fundamental mechanisms behind catalytic reactions. He has introduced innovative concepts like conjugate electron excitation, enabling novel interpretations of X-ray Photoelectron and Disappearance Potential spectra. He has proposed mechanisms for achieving high-purity isotope separation through phase equilibrium manipulation, with implications in nuclear, medical, and industrial domains. His research also identifies optimal alloy compositions for catalytic ammonia synthesis by linking substrate atom coordination with adsorption energy. Dr. Cholach’s approach is both microscopic in detail and macroscopic in application, aiming to redesign materials at the atomic level for scalable real-world impact. His interdisciplinary skill set makes him a powerful contributor to advancements in catalytic materials and atomic-level research.

📖 Publication Top Notes

  • 🔬 XPS and DFT studies of γ-Al₂O₃ modified by NO

    • 📚 Applied Surface Science

    • ✍️ Authors: Nartova, A.; Dmitrachkov, A.; Cholach, A.

    • 📅 Year: 2025

  • 🧪 Apparent fractionation of isotopes in moderately cooled argon

    • 📚 arXiv

    • ✍️ Authors: Cholach, A.R.; Yakovin, D.V.

    • 📅 Year: 2024

  • 📄 XPS and DFT Studies of γ-Al₂O₃ Modified by NO

    • 📚 SSRN

    • ✍️ Authors: Nartova, A.; Dmitrachkov, A.; Cholach, A.

    • 📅 Year: 2024

  • ⚛️ Catalytic activity of γ-Al₂O₃(110) in the NO + H₂ reaction: a DFT study

    • 📚 Physical Chemistry Chemical Physics

    • ✍️ Author: Cholach, A.

    • 📅 Year: 2023

  • ❄️ Freezing-out of heavy isotopes of Kr

    • 📚 arXiv

    • ✍️ Authors: Cholach, A.R.; Yakovin, D.V.; Latkin, N.I.; Sidorov, I.A.

    • 📅 Year: 2023

  • 📘 Metal, Alloy, and Single-Atom Catalysts for Ammonia Synthesis

    • 📚 Advances in Materials Science Research: Volume 52

    • ✍️ Author: Cholach, A.R.

    • 📅 Year: 2022

  • 🧪 Removal of CF₄ from NF₃ at the phase interface

    • 📚 Journal of the Taiwan Institute of Chemical Engineers

    • ✍️ Authors: Cholach, A.; Yakovin, D.

    • 📅 Year: 2022

  • 🔬 Re-Co alloys and single-atom Re catalysts in ammonia synthesis: A DFT study

    • 📚 Molecular Catalysis

    • ✍️ Authors: Cholach, A.R.; Bryliakova, A.A.

    • 📅 Year: 2021

  • 🧪 Design of Active Centers in Ammonia Synthesis on Mo-Based Catalysts: A Theoretical Study

    • 📚 Topics in Catalysis

    • ✍️ Authors: Cholach, A.; Bryliakova, A.

    • 📅 Year: 2020

  • 📊 Features of Extended XPS Spectra of C₂FBr₀.₁₅ Intercalate and Silver Foil

    • 📚 Journal of Structural Chemistry

    • ✍️ Authors: Cholach, A.R.; Asanov, I.P.; Bryliakova, A.A.; Kalinkin, A.V.; Smirnov, M.Y.

    • 📅 Year: 2020