Ralph Scheicher
Researcher at Department of Physics and Astronomy; Materials Theory
- Mobile phone:
- +46 70 859 35 18
- E-mail:
- ralph.scheicher@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Postal address:
- Box 516
751 20 UPPSALA
Researcher at Department of Physics and Astronomy; Materials Theory; Materials Theory
- Mobile phone:
- +46 70 859 35 18
- E-mail:
- ralph.scheicher@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Postal address:
- Box 516
751 20 UPPSALA
- CV:
- Download CV
- ORCID:
- 0000-0001-5397-7753
More information is available to staff who log in.
Short presentation
Research Interests: studying nano-bio systems as well as metal hydrides using methods from the field of computational materials science. Focusing on nanopore-based sequencing of DNA and proteins and on hydrogen storage. Also part of the Biophysics Network within the faculty.- For more, please see Ralph Scheicher's homepage.
Biography
Current position: Assistant Professor, 07/2010 – present, Division of Materials Theory, Department of Physics and Astronomy, Uppsala University
Previous positions: Gästforskare (Visiting Researcher), 10/2007 – 06/2010, Department of Physics and Materials Science, Uppsala University; Visiting Assistant Professor, 10/2005 – 09/2007, Department of Physics, Michigan Technological University, Houghton, MI, U.S.A.; Postdoc, 08/2004 – 09/2005; Teaching Assistant, 01/2000 – 05/2004, Department of Physics, State University of New York at Albany, Albany, NY, U.S.A.; Research Assistant, 10/1999 – 01/2000, jointly between KEK, High Energy Accelerator Research Organization, Tsukuba, Ibaraki, and RIKEN, Wako-shi, Japan
Research
We focus on atomistic modelling of materials which can be broadly categorized into two subject areas: nanobiotechnology and amorphous solids. In the first area, the primary goal is to computationally design and explore nano-architectures that allow for new physical approaches to probe biological molecules. One of the main applications that motivates our studies is the possibility to use nanopores for sequencing DNA or studying proteins. - Regarding the second area, we are carrying out research on a challenging class of non-crystalline materials known as amorphous solids or glasses. Among other aspects, we are interested in how the thermal conductivity of such systems is affected if one introduces a long-range order ("phononic glasses") and how the diffusivity of hydrogen can be controlled by synthesizing specific compositions in the amorphous phase.
Publications
Selection of publications
- Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass (2022)
- Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses (2022)
- A multiscale approach for electronic transport simulation of carbon nanostructures in aqueous solvent (2022)
- Threshold switching memristor-based stochastic neurons for probabilistic computing (2021)
- Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore (2020)
- The role of water on the electronic transport in graphene nanogap devices designed for DNA sequencing (2020)
- Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA (2019)
- Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates (2019)
- Nanochannel-Based Transport in an Interfacial Memristor Can Emulate the Analog Weight Modulation of Synapses (2019)
- Zero-Depth Interfacial Nanopore Capillaries (2018)
- Topological line defects in graphene for applications in gas sensing (2018)
- Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems (2018)
- Topological Line Defects Around Graphene Nanopores for DNA Sequencing (2018)
- Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces (2018)
- Electrical detection of nucleotides via nanopores in a hybrid graphene/h-BN sheet (2017)
- On Monolayer Formation of Pyrenebutyric Acid on Graphene (2017)
- The influence of site occupancy on diffusion of hydrogen in vanadium (2017)
- Insights into the detection of mutations and epigenetic markers using diamondoid-functionalized sensors (2017)
- Boosting DNA Recognition Sensitivity of Graphene Nanogaps through Nitrogen Edge Functionalization (2016)
- Nano-structured interface of graphene and h-BN for sensing applications (2016)
- Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene (2016)
- Salt-Gradient Approach for Regulating Capture-to-Translocation Dynamics of DNA with Nanochannel Sensors (2016)
- Hydrogenation induced structure and property changes in GdGa (2016)
- Benchmark investigation of diamondoid-functionalized electrodes for nanopore DNA sequencing (2016)
- Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides (2016)
- Electronic Transport along Hybrid MoS2 Monolayers (2016)
- On nanopore DNA sequencing by signal and noise analysis of ionic current (2016)
- Silicene as a new potential DNA sequencing device (2015)
- Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore (2015)
- Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations (2015)
- Contrasting interedge superexchange interactions of graphene nanoribbons embedded in h-BN and graphane (2015)
- Highly Sensitive and Selective Gas Detection Based on Silicene (2015)
- Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene (2015)
- Thermophoretic Manipulation of DNA Translocation through Nanopores (2013)
- Mechanism of How Salt-Gradient-Induced Charges Affect the Translocation of DNA Molecules through a Nanopore (2013)
- Physisorption of DNA Nucleobases on h-BN and Graphene (2013)
- Noncovalent Functionalization with Alkali Metal to Separate Semiconducting from Metallic Carbon Nanotubes (2013)
- Theoretical Study of Electronic Transport through DNA Nucleotides in a Double-Functionalized Graphene Nanogap (2013)
- Electronic transport in graphene-based heterostructures (2013)
- Double-functionalized nanopore-embedded gold electrodes for rapid DNA sequencing (2012)
- DNA sequencing with nanopores from an ab initio perspective (2012)
- Enhanced DNA Sequencing Performance Through Edge-Hydrogenation of Graphene Electrodes (2011)
- Predicted Formation of Superconducting Platinum-Hydride Crystals under Pressure in the Presence of Molecular Hydrogen (2011)
- Theoretical study of C60 as catalyst for dehydrogenation in LiBH4 (2011)
- Differential conductance as a promising approach for rapid DNA sequencing with nanopore-embedded electrodes (2010)
- First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes (2008)
- Functionalized Nanopore-Embedded Electrodes for Rapid DNA Sequencing (2008)
- Internal vibrations of the Li(NH3)4+ complex analyzed from ab initio, density functional theory, and the classical spring network model (2008)
- Physisorption of nucleobases on graphene (2007)
Recent publications
- A high density nanopore 3-triangulene kagome lattice (2024)
- Unveiling the local structure of the amorphous metal Fe(1−x)Zrx combining first-principles-based simulations and modelling of EXAFS spectra (2023)
- Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass (2022)
- Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing (2022)
- Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses (2022)
All publications
Articles
- A high density nanopore 3-triangulene kagome lattice (2024)
- Unveiling the local structure of the amorphous metal Fe(1−x)Zrx combining first-principles-based simulations and modelling of EXAFS spectra (2023)
- Hydrogen-induced volume changes, dipole tensor, and elastic hydrogen-hydrogen interaction in a metallic glass (2022)
- Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing (2022)
- Hydrogen-induced enhancement of thermal stability in VZr(H) metallic glasses (2022)
- A multiscale approach for electronic transport simulation of carbon nanostructures in aqueous solvent (2022)
- Single-molecule DNA sequencing using two-dimensional Ti2C(OH)(2) MXene nanopores (2022)
- Threshold switching memristor-based stochastic neurons for probabilistic computing (2021)
- Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore (2020)
- The role of water on the electronic transport in graphene nanogap devices designed for DNA sequencing (2020)
- Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA (2019)
- Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates (2019)
- Nanochannel-Based Transport in an Interfacial Memristor Can Emulate the Analog Weight Modulation of Synapses (2019)
- Zero-Depth Interfacial Nanopore Capillaries (2018)
- Topological line defects in graphene for applications in gas sensing (2018)
- Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems (2018)
- Topological Line Defects Around Graphene Nanopores for DNA Sequencing (2018)
- Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces (2018)
- Electrical detection of nucleotides via nanopores in a hybrid graphene/h-BN sheet (2017)
- On Monolayer Formation of Pyrenebutyric Acid on Graphene (2017)
- The influence of site occupancy on diffusion of hydrogen in vanadium (2017)
- Insights into the detection of mutations and epigenetic markers using diamondoid-functionalized sensors (2017)
- Boosting DNA Recognition Sensitivity of Graphene Nanogaps through Nitrogen Edge Functionalization (2016)
- Nano-structured interface of graphene and h-BN for sensing applications (2016)
- Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene (2016)
- Salt-Gradient Approach for Regulating Capture-to-Translocation Dynamics of DNA with Nanochannel Sensors (2016)
- Hydrogenation induced structure and property changes in GdGa (2016)
- Benchmark investigation of diamondoid-functionalized electrodes for nanopore DNA sequencing (2016)
- Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides (2016)
- Electronic Transport along Hybrid MoS2 Monolayers (2016)
- On nanopore DNA sequencing by signal and noise analysis of ionic current (2016)
- Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa (2016)
- Silicene as a new potential DNA sequencing device (2015)
- Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore (2015)
- Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations (2015)
- Contrasting interedge superexchange interactions of graphene nanoribbons embedded in h-BN and graphane (2015)
- Highly Sensitive and Selective Gas Detection Based on Silicene (2015)
- Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene (2015)
- Lithium transport investigation in LixFeSiO4: A promising cathode material (2013)
- First-principles investigation of Li ion diffusion in Li2FeSiO4 (2013)
- Thermophoretic Manipulation of DNA Translocation through Nanopores (2013)
- Mechanism of How Salt-Gradient-Induced Charges Affect the Translocation of DNA Molecules through a Nanopore (2013)
- Physisorption of DNA Nucleobases on h-BN and Graphene (2013)
- Noncovalent Functionalization with Alkali Metal to Separate Semiconducting from Metallic Carbon Nanotubes (2013)
- Theoretical Study of Electronic Transport through DNA Nucleotides in a Double-Functionalized Graphene Nanogap (2013)
- Electronic transport in graphene-based heterostructures (2013)
- Hydrogen storage properties of the pseudo binary Laves phase (Sc1-xZrx)(Co1-yNiy)2 system (2013)
- Optical properties of Mg-doped VO2 (2012)
- Li-Na ternary amidoborane for hydrogen storage (2012)
- Double-functionalized nanopore-embedded gold electrodes for rapid DNA sequencing (2012)
- Nuclear Quadrupole Interactions in Nuclear Quadrupole Resonance Detection of Energetic and Controlled Materials (2012)
- Excellent Catalytic Effects of Graphene Nanofibers on Hydrogen Release of Sodium alanate (2012)
- DNA sequencing with nanopores from an ab initio perspective (2012)
- Electronic structure and quantum transport properties of trilayers formed from graphene and boron nitride (2012)
- Enhanced DNA Sequencing Performance Through Edge-Hydrogenation of Graphene Electrodes (2011)
- Predicted Formation of Superconducting Platinum-Hydride Crystals under Pressure in the Presence of Molecular Hydrogen (2011)
- Sensitivity of Boron Nitride Nanotubes toward Biomolecules of Different Polarities (2011)
- Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles (2011)
- Theoretical study of C60 as catalyst for dehydrogenation in LiBH4 (2011)
- Hydrogen Binding in Alkali-decorated Iso-reticular Metal Organic Framework-16 based on Zn, Mg, and Ca (2011)
- Hydrogen as promoter and inhibitor of superionicity (2010)
- DNA sequencing with nanopore-embedded bilayer-graphene nanoelectrodes (2010)
- Differential conductance as a promising approach for rapid DNA sequencing with nanopore-embedded electrodes (2010)
- General trend for pressurized superconducting hydrogen-dense materials (2010)
- Understanding from First-Principles Why LiNH2BH3 · NH3BH3 Shows Improved Dehydrogenation over LiNH2BH3 and NH3BH3 (2010)
- Li+ ion conductivity and diffusion mechanism in α-Li3N and β-Li3N (2010)
- Theoretical study of physisorption of nucleobases on boron nitride nanotubes (2010)
- One-dimensional polymeric carbon structure based on five-membered rings in alkaline earth metal dicarbides BeC2 and MgC2 (2010)
- Superionicity in the hydrogen storage material Li2NH (2009)
- Carbon nanomaterials as catalysts for hydrogen uptake and release in NaAlH4 (2009)
- Predicted High-Temperature Superconducting State in the Hydrogen-Dense Transition-Metal Hydride YH3 at 40 K and 17.7 GPa (2009)
- Stability of ferromagnetic phase in Fe-doped AlH3 (2009)
- Structural and energetic analysis of the hydrogen storage materials LiNH2BH3 and NaNH2BH3 from ab initio calculations (2009)
- Ab Initio Study of Molecular Hydrogen Adsorption in Covalent Organic Framework-1 (2009)
- Potassium-modified Mg(NH2)2/2 LiH system for hydrogen storage (2009)
- Thermodynamic analysis of hydrogen sorption reactions in Li-Mg-N-H systems (2008)
- First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes (2008)
- Functionalized Nanopore-Embedded Electrodes for Rapid DNA Sequencing (2008)
- Dynamical stability of the cubic metallic phase of AlH3 at ambient pressure (2008)
- Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory (2008)
- Investigation of the hyperfine properties of deoxy hemoglobin based on its electronic structure obtained by Hartree-Fock-Roothan procedure (2008)
- Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level (2008)
- Internal vibrations of the Li(NH3)4+ complex analyzed from ab initio, density functional theory, and the classical spring network model (2008)
- Cubic metallic phase of aluminum hydride showing improved hydrogen desorption (2008)
- A comparative investigation of H-2 adsorption strength in Cd- and Zn-based metal organic framework-5 (2008)
- On the structural and energetic properties of the hydrogen absorber Li2Mg(NH)2 (2007)
- Understanding of nuclear quadrupole interactions of Cl-35, Br-79 and I-129 and binding energies of solid halogens at first-principles level (2007)
- Nuclear quadrupole interactions and electronic structure of BF3 center dot H2O complex (2007)
- Physisorption of nucleobases on graphene (2007)
- First-principles study of location of Er3+ ion-relationship to understanding of hyperfine interactions in the optoelectronic erbium-silicon system (2007)
- First principles study of nuclear quadrupole interactions in the molecular solid BF3 and the nature of binding between the molecules (2007)
- Theory of electronic structure and nuclear quadrupole interactions in the BF3-NH3 complex and methyl derivatives (2007)
- Structural transition in lithium imide triggered by melting of cation sublattice
- The influence of hydrogen on the electronic structure in transition metallic glasses
- Structural characterization of amorphous Fe(1-x)Zrx
- Effect of tetragonal distortion on the diffusion of hydrogen in vanadium studied with ab initio molecular dynamics
- High-Temperature Superconductivity in the Hydrogen-Dense Transition Metal Hydride YH3
- Structural characterization of amorphous Fe(1-x)Zrx
- A comparative investigation of H2 interaction in Cd- and Zn-based Metal Organic Framework-5
- Li+ and H+ Diffusions in Lithium Amide and Hydride: A first-principles study
- Hydrogen Absorption in Rare-Earth-Gallide Zintl-Phases LnGa (Ln=Nd, Gd)