Research output per year
Research output per year
Personal profile
Research interests
Ab initio (using mainly density functional theory) and classical modelling of scanning-probe microscopy techniques with atomic resolution (STM and AFM); topography and dissipation in atomic force microscopy; hybrid quantum-mechanical methods in treating very large (e.g. biological) systems, chemical reactions and adsorption on surfaces; quantum-mechanical embedding; phonons calculations; manipulation of atoms and molecules using AFM/STM tips; non-equilibrium statistical mechanics; quantum transport; theory of defects in solids; Generalised Langevin Equation; Kinetic Monte Carlo; graphene growth
Research interests (short)
STM & AFM modelling; embedding; KMC; self-assembly; non-equilibrium; stochastic processes; non-adiabatic
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Keywords
- QC Physics
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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A comprehensive exploration of structural and electronic properties of molybdenum clusters
Wei, Y., Veryazov, V. & Kantorovich, L., 1 Mar 2024, In: APL Materials. 12, 3, 031127.Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (Scopus) -
Global Optimization of Molybdenum Subnanoclusters on Graphene: A Consistent Approach toward Catalytic Applications
Wei, Y., Santana-Bonilla, A. & Kantorovich, L., 20 Nov 2024, In: ACS Applied Materials and Interfaces. 16, 46, p. 64177-64189 13 p.Research output: Contribution to journal › Article › peer-review
Open Access16 Downloads (Pure) -
Highly-selective metalation of porphyrin enabled by distinct aromatic ring-fused structures
Chen, Y., Ding, P., Sun, Y., Kantorovich, L. N., Besenbacher, F. & Yu, M., 11 Mar 2024, In: MATERIALS TODAY PHYSICS. 42, 101392.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus) -
Impact of long-range attraction on desorption kinetics
Schneider, F., Höltkemeier, L., Floris, A., Kantorovich, L., Bechstein, R. & Kühnle, A., 27 Feb 2024, In: Physical Chemistry Chemical Physics. 26, 16, p. 12282-12288 7 p.Research output: Contribution to journal › Article › peer-review
Open Access -
On-Surface Boronation of Porphyrin into a Molecular Dipole
Chen, Y., Yi, W., Sun, Y., Kantorovich, L. & Yu, M., 28 Sept 2024, (Accepted/In press) In: Nano Letters.Research output: Contribution to journal › Article › peer-review
File30 Downloads (Pure)
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Universal approach to dynamics of finite and extended atomistic systems
Kantorovich, L. (Primary Investigator) & Bhaseen, J. (Co-Investigator)
18/02/2022 → 17/02/2026
Project: Research
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PAX-HPC: Particles At eXascale on High Performance Computers (PAX-HPC)
Kantorovich, L. (Primary Investigator)
EPSRC Engineering and Physical Sciences Research Council
1/12/2021 → 25/03/2025
Project: Research
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A New Spin on Atomic Logic
Kantorovich, L. (Primary Investigator)
EPSRC Engineering and Physical Sciences Research Council
27/09/2021 → 13/08/2024
Project: Research
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CQD-Tech - Carbon Quantum Dots-based Technologies
Molteni, C. (Primary Investigator), Bonini, N. (Co-Investigator) & Kantorovich, L. (Co-Investigator)
1/01/2017 → 31/12/2019
Project: Research
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Mechanochemistry at the single bond limit: Towards Deterministic Epitaxy
Kantorovich, L. (Primary Investigator)
EPSRC Engineering and Physical Sciences Research Council
1/05/2016 → 31/10/2019
Project: Research
Activities
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TYC materials modelling course
Kantorovich, L. (Keynote/plenary speaker)
1 Feb 2019 → 1 Mar 2019Activity: Participating in or organising an event › Participation in workshop, seminar, course
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3) A lecture course on Non-Equilibrium Green;s Functions for TYC
Kantorovich, L. (Speaker)
Jul 2011 → …Activity: Participating in or organising an event › Participation in conference
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3) Berlin, The big Psi_k conference
Kantorovich, L. (Chair)
Sept 2010 → …Activity: Participating in or organising an event › Participation in conference
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12) Berlin, The big Psi_k conference, invited
Kantorovich, L. (Keynote/plenary speaker)
Sept 2010 → …Activity: Participating in or organising an event › Participation in conference
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2) iNano Summer School, Sønderborg, invited lecture
Kantorovich, L. (Invited speaker)
Aug 2010 → …Activity: Participating in or organising an event › Participation in conference