- statut_ub:
- batiment:
- equipe_1:
- OCS
- fonction_equipe_1:
- Agent(e) de service
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- adresse:
- onglets:
- {tab=Carrière} # {tab=Projets} # {tab=Publications} # {tab=Communications} # {tab=Enseignements} # {tab=Administration} # {/tabs}
- telephone:
- 03-80-39-60-93
- e-mail:
- adrien.nicolai@u-bourgogne.fr
- site_web:
- departement:
- a:1:{i:0;s:12:"Nanosciences";}
- fonction:
- Maitre de conférences / Associate professor
- localisation:
- Bâtiment MIRANDE - Aile D bureau 316
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- carriere:
- I studied Physics at Université de Bourgogne (uB), where I got a master degree in Nanotechnology and Nanobiosciences in 2009. I earned a PhD from uB in 2012 under the supervision of Professor Patrick Senet. I was postdoctoral research associate at Renselaer Poytechnic Institute (NY, USA) in 2013-2014, joining the group of Professor Vincent Meunier and at Ecole Polytechnique Federale de Lausanne (Switzerland) in the group of Professor Clémence Corminboeuf (LCMD) until 2015 when I joined uB as an associate professor. My domains of expertise are condensed matter physics, physics and chemistry of nanomaterials and biophysics. My research uses computation to examine and describe mechanisms of interactions between nanomaterials and biomolecules at the atomic level. I am particularly interested in the characterization and detection of biomolecules using devices based on nanomaterials.
- projets:
- Design and computer simulations of 2D MeX2 (Me = transition metal) nanopores for DNA and protein detection and analysis. PhD thesis of Maria Daniela Barrios Pérez (defended Jan. 7th, 2020).
-
Simulation des spectres infrarouge basses fréquences (<300 GHz) à haute résolution de la conalbumine. Rôle de l’anharmonicité et comparaison avec les données expérimentales. M2 internship of Mohamed Ahmed Khaireh (2017-2018).
- communications:
- 2019:
- International Conference on Advanced Nanotechnology and Nanomaterials (Dubaï UAE, Nov. 20-21): Identifying Patterns in Time Series Data: Application to Biological Peptide Translocation through single-layer MoS2 Nanopores.
- Materials Research Society Fall Meeting (Boston USA, Nov. 25-30): Modeling the Ionic Conductivity and Biomolecule Translocation Through Solid-State MoS2 Nanopores
- XXVIII International Materials Research Congress (Cancún México, Aug. 20-25): Biological Peptide Sequencing: Computational investigation of the performances of MoS2 solid-state nanopores for such applications.
- publications:
- 2020: 2019:
- The Journal of Physical Chemistry B: Molecular Dynamics Investigation of Polylysine Peptide Translocation through MoS2 Nanopores.
- Applied Physics Letter: Improved model of ionic transport in 2-D MoS2 membranes with sub-5 nm pores.
- Chemistry–A European Journal: On‐Surface Synthesis and Characterization of Acene‐Based Nanoribbons Incorporating Four‐Membered Rings.
- Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes (Springer): Raman and Infrared Spectra of Acoustical, Functional Modes of Proteins from All-Atom and Coarse-Grained Normal Mode Analysis.
- Insect Biochemistry and Molecular Biology: Characterization of a Drosophila glutathione transferase involved in isothiocyanate detoxification.
- Nano Letters: Angstrom-Size Defect Creation and Ionic Transport through Pores in Single-Layer MoS2.
- WSEAS Trans. Circuits Syst: Computational investigation of the ionic conductance through molybdenum disulfide (MoS2) nanopores.
- Journal of the American Chemical Society: On-Surface Cyclization of ortho-Dihalotetracenes to Four- and Six-Membered Rings.
- Journal of Materials Chemistry C: Charge transport in highly ordered organic nanofibrils: lessons from modelling.
- Chemical Science: Photochromic Torsional Switch (PTS): a light-driven actuator for the dynamic tuning of π-conjugation extension.
- Journal of Physical Chemistry Letters: Theoretical Insights into Sub-Terahertz Acoustic Vibrations of Proteins Measured in Single-Molecule Experiments.
- Journal of Computational Chemistry: Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry.
- Carbon: Structural, energetic, and electronic properties of gyroidal graphene nanostructures.
- ACS Omega: Fingerprints of conformational states of human Hsp70 at sub-THz frequencies.
- Journal of Physical Chemistry Letters: Exploiting dispersion-driven aggregators as a route to new one-dimensional organic nanowires.
- ACS Nano: On-surface synthesis of BN-substituted heteroaromatic networks.
- ACS Applied Materials & Interfaces: Temperature-dependent and bistable current–voltage measurements in zinc porphyrin molecular junctions.
- The Journal of Physical Chemistry C: Electrolyte Diffusion in Gyroidal Nanoporous Carbon.
- Scientific Reports: Intrinsic localized modes in proteins.
- ACS Nano: DNA translocation in nanometer thick silicon nanopores.
- Accounts of Chemical Research: Interfacial properties and design of functional energy materials.
- Physical Chemistry Chemical Physics: Tunable water desalination across graphene oxide framework membranes.
- PLOS Computational Biology: Decipher the mechanisms of protein conformational changes induced by nucleotide binding through free-energy landscape analysis: ATP binding to Hsp70.
- Journal of Chemical Theory and Computation: Molecular dynamics simulations of graphene oxide frameworks.
- Journal of Biomolecular Structure and Dynamics: Conformational dynamics of full-length inducible human Hsp70 derived from microsecond molecular dynamics simulations in explicit solvent.
- Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes (Springer): Low-Frequency, Functional, Modes of Proteins: All-Atom and Coarse-Grained Normal Mode Analysis.
- Journal of Chemical Theory and Computation: Human inducible Hsp70: structures, dynamics, and interdomain communication from all-atom molecular dynamics simulations.
- enseignements:
- L1 Sciences et Techniques: Physique Générale
- L2 Sciences et Techniques: Outils Informatiques pour la Physique et la Chimie
- L3 Physique Fondamentale et Appliquée: Physique de la Matière Condensée
- M1 Physics Photonics Nanotechnology: Soft Matter
- M2 Physics Photonics Nanotechnology: Nanobiomodelling
- administration:
- switch:
- 0