Carl Caleman
Professor at Department of Physics and Astronomy; X-ray Photon Science
- Telephone:
- +46 18 471 36 11
- E-mail:
- carl.caleman@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Postal address:
- Box 516
751 20 UPPSALA
Professor at Department of Physics and Astronomy; X-ray Photon Science; Chemical and Bio-Molecular Physics
- Telephone:
- +46 18 471 36 11
- E-mail:
- carl.caleman@physics.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
- Postal address:
- Box 516
751 20 UPPSALA
More information is available to staff who log in.
Short presentation
I am a group leader at the Division for Molecular and Condensed Matter Physics within the Departement of Physics and Astronomy. For information about my group and our research please see: Molecular Dynamics and Structure.
Publications
Selection of publications
- Ultrafast self-gating Bragg diffraction of exploding nanocrystals in an X-ray laser (2015)
- Simulations of Radiation Damage as a Function of the Temporal Pulse Profile in Femtosecond X-ray Protein Crystallography (2015)
- Single-molecule imaging with longer X-ray laser pulses (2015)
- Surface behavior of amphiphiles in aqueous solution (2015)
- Diffraction before destruction (2014)
- Thermodynamics of hydronium and hydroxide surface solvation (2014)
- Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser (2014)
- Natively Inhibited Trypanosoma brucei Cathepsin B Structure Determined by Using an X-ray Laser (2013)
Recent publications
- Collision induced unfolding and molecular dynamics simulations of norovirus capsid dimers reveal strain-specific stability profiles (2024)
- MolDStruct (2024)
- Theoretical Studies of Anisotropic Melting of Ice Induced by Ultrafast Nonthermal Heating (2024)
- Ultrafast X-ray laser-induced explosion (2024)
- Attosecond formation of charge-transfer-to-solvent states of aqueous ions probed using the core-hole-clock technique (2024)
All publications
Articles
- Collision induced unfolding and molecular dynamics simulations of norovirus capsid dimers reveal strain-specific stability profiles (2024)
- MolDStruct (2024)
- Theoretical Studies of Anisotropic Melting of Ice Induced by Ultrafast Nonthermal Heating (2024)
- Ultrafast X-ray laser-induced explosion (2024)
- Attosecond formation of charge-transfer-to-solvent states of aqueous ions probed using the core-hole-clock technique (2024)
- Shell-dependent photofragmentation dynamics of a heavy-atom-containing bifunctional nitroimidazole radiosensitizer (2024)
- Heavy element incorporation in nitroimidazole radiosensitizers (2024)
- The Surface of Ionic Liquids in Water (2024)
- Enhanced EMC-Advantages of partially known orientations in x-ray single particle imaging (2024)
- Rehydration Post-orientation (2023)
- Decreasing ultrafast x-ray pulse durations with saturable absorption and resonant transitions (2023)
- Radiation damage by extensive local water ionization from two-step electron-transfer-mediated decay of solvated ions (2023)
- Coherent diffractive imaging of proteins and viral capsids (2023)
- Observing ice structure of micron-sized vapor-deposited ice with an x-ray free-electron laser (2023)
- Speckle contrast of interfering fluorescence X-rays (2023)
- Imaging via Correlation of X-Ray Fluorescence Photons (2023)
- Stability and conformational memory of electrosprayed and rehydrated bacteriophage MS2 virus coat proteins (2022)
- Distinguishing between Similar Miniproteins with Single-Molecule Nanopore Sensing (2022)
- Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides (2022)
- Probing Aqueous Ions with Non-local Auger Relaxation (2022)
- X-ray Induced Fragmentation of Protonated Cystine (2022)
- The Surface Composition of Amino Acid - Halide Salt Solutions is pH-Dependent (2022)
- Observations of phase changes in monoolein during high viscous injection (2022)
- Glycan-Induced Protein Dynamics in Human Norovirus P Dimers Depend on Virus Strain and Deamidation Status (2021)
- Propensity, free energy contributions and conformation of primary n-alcohols at a water surface (2021)
- Charge State Dependence of Amino Acid Propensity at Water Surface (2021)
- Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses (2021)
- Protein orientation in time-dependent electric fields (2021)
- Reproducibility in the unfolding process of protein induced by an external electric field (2021)
- A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography (2020)
- Dynamics of rare gas solids irradiated by electron beams (2020)
- Femtosecond fragmentation of CS2 after sulfur 1s ionization (2020)
- Recovery of undamaged electron-density maps in the presence of damage-induced partial coherence in singe-particle imaging (2020)
- Structural Heterogeneity in Single Particle Imaging Using X-ray Lasers (2020)
- Proton dynamics in molecular solvent clusters as an indicator for hydrogen bond network strength in confined geometries (2020)
- Temperature Dependence of X-ray-Induced Auger Processes in Liquid Water (2020)
- Femtosecond bond breaking and charge dynamics in ultracharged amino acids (2019)
- Femtosecond phase-transition in hard x-ray excited bismuth (2019)
- Site-specific X-ray induced dynamics in liquid methanol (2019)
- Is Radiation Damage the Limiting Factor in Single Particle Imaging with X-ray Free-Electron Lasers? (2019)
- Ultrafast non-thermal heating of water initiated by an X-ray laser (2018)
- Strong Enrichment of Atmospherically Relevant Organic Ions at the Aqueous Interface (2018)
- Polarizable Drude Model with s‑Type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields (2018)
- FreeDam – A Webtool for Free-Electron Laser-Induced Damage in Femtosecond X-ray Crystallography (2018)
- Shifted Equilibria of Organic Acids and Bases in the Aqueous Surface Region (2018)
- Reproducibility of Single Protein Explosions Induced by X-ray Lasers (2018)
- Hit detection in serial femtosecond crystallography using X-ray spectroscopy of plasma emission (2017)
- Controlling Protein Orientation in Vacuum Using Electric Fields (2017)
- A Validation Study of the General Amber Force Field Applied to Energetic Molecular Crystals (2016)
- Ultrafast self-gating Bragg diffraction of exploding nanocrystals in an X-ray laser (2015)
- Electronic damage in S atoms in a native protein crystal induced by an intense X-ray free-electron laser pulse (2015)
- Towards phasing using high X-ray intensity (2015)
- Simulations of Radiation Damage as a Function of the Temporal Pulse Profile in Femtosecond X-ray Protein Crystallography (2015)
- Single-molecule imaging with longer X-ray laser pulses (2015)
- Indications of radiation damage in ferredoxin microcrystals using high-intensity X-FEL beams (2015)
- Surface behavior of amphiphiles in aqueous solution (2015)
- Diffraction before destruction (2014)
- Thermodynamics of hydronium and hydroxide surface solvation (2014)
- X-Ray Diffraction from Isolated and Strongly Aligned Gas-Phase Molecules with a Free-Electron Laser (2014)
- Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser (2014)
- Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography (2013)
- Natively Inhibited Trypanosoma brucei Cathepsin B Structure Determined by Using an X-ray Laser (2013)
- Time-resolved protein nanocrystallography using an X-ray free-electron laser (2012)
- Self-terminating diffraction gates femtosecond X-ray nanocrystallography measurements (2012)
- High-resolution protein structure determination by serial femtosecond crystallography (2012)
- Force Field Benchmark of Organic Liquids (2012)
- Organic molecules on the surface of water droplets (2012)
- Lipidic phase membrane protein serial femtosecond crystallography (2012)
- In vivo protein crystallization opens new routes in structural biology (2012)
- GROMACS molecule & liquid database (2012)
- Saturated ablation in metal hydrides and acceleration of protons and deuterons to keV energies with a soft-x-ray laser (2011)
- Simulations of radiation damage in biomolecular nanocrystals induced by femtosecond X-ray pulses (2011)
- Atomistic simulation of ion solvation in water explains surface preference of halides (2011)
- On the Feasibility of Nanocrystal Imaging Using Intense and Ultrashort X-ray Pulses (2011)
- Femtosecond X-ray protein nanocrystallography (2011)
- TOF-OFF (2011)
- Radiation damage in protein serial femtosecond crystallography using an x-ray free-electron laser (2011)
- Single mimivirus particles intercepted and imaged with an X-ray laser (2011)
- Proteins, Lipids, and Water in the Gas Phase (2011)
- Femtosecond diffractive imaging of biological cells (2010)
- Radiation damage in biological material (2009)
- Wavelength dependence of the damage threshold of inorganic materials under extreme-ultraviolet free-electron-laser irradiation (2009)
- Structural stability of electrosprayed proteins (2009)
- Picosecond Melting of Ice by an Infrared Laser Pulse (2008)
- Formation of secondary electron cascades in single-crystalline plasma-deposited diamond upon exposure to femtosecond x-ray pulses (2008)
- Structural studies of melting on the picosecond time scale (2008)
- Evaporation from water clusters containing singly charged ions (2007)
- Characteristics of focused soft X-ray free-electron laser beam determined by ablation of organic molecular solids (2007)
- Femtosecond time-delay X-ray holography (2007)
- Force Field Benchmark of Organic Liquids (2007)
- Damage threshold of inorganic solids under free-electron-laser irradiation at 32.5 nm wavelength (2007)
- Secondary Electron Cascade Dynamics in KI and CsI (2007)
- Temperature and structural changes of water clusters in vacuum due to evaporation (2006)
- Femtosecond diffractive imaging with a soft-X-ray free-electron laser (2006)
- Clocking femtosecond X rays. (2005)
- Observation of structural anisotropy and the onset of liquidlike motion during the nonthermal melting of InSb. (2005)
- Studies if resolidification of non-thermally molten InSb using time-resolved X-ray diffraction (2005)
- Studies of resolidification of non-thermally molten InSb using time-resolved X-ray diffraction (2005)
- Atomic-scale visualization of inertial dynamics. (2005)
- Auger electron cascades in water and ice (2004)
- Influence of Ionization on the Dynamics of Hydrocarbons
- Macromolecule classification using X-ray laser induced fragmentation simulated with hybrid Monte Carlo/Molecular Dynamics
- Nanocrystal imaging using intense and ultrashort X-ray pulses
- Anisotropic melting of ice induced by ultrafast non-thermal heating
- Surface propensity of atmospherically relevant carboxylates and alkyl ammonium ions studied by XPS
- Radiation damage in a hemoglobin crystal studied with an X-ray free-electron laser
- X-ray Induced Fragmentation of Protonated Cystine
- X-ray-induced attosecond ion-water electron dynamics of aqueous ions
- Non-local decay of highly charged aqueous inorganic ions produced by Auger decay
- Specific probing of the hydrogen bonding network in aqueous mixtures of glycerol and dimethyl sulfoxide
- Probing the Hydrogen-Bond Strength of Solvent Clusters using Proton Dynamics
- Orientation before destruction. A multiscale molecular dynamics study
- Sample Heterogeneity in Single Particle Imaging Using X-ray Lasers
Books
Conferences
- Ultrafast dynamics of water exposed to XFEL pulses (2019)
- Modeling of XFEL induced ionization and atomic displacement in protein nanocrystals (2012)
- Modeling of soft X-ray induced ablation in solids (2011)
- Opportunities and challenges using short-pulse X-ray sources. (2005)
- Ultrafast x-ray measurements of inertial atomic-scale motion (2005)
