Hans Karlsson
Professor vid Institutionen för informationsteknologi; Beräkningsvetenskap
- Telefon:
- 018-471 78 93
- Mobiltelefon:
- 070-167 92 87
- E-post:
- hans.karlsson@it.uu.se
- Besöksadress:
- Hus 10, Lägerhyddsvägen 1
- Postadress:
- Box 337
751 05 UPPSALA
- Akademiska meriter:
- doc, FD, excellent lärare
- ORCID:
- 0000-0002-5366-4949
Mer information visas för dig som medarbetare om du loggar in.
Kort presentation
Min forskning berör kvantmekanisk modellering av dynamiken hos kemiska reaktioner, från växelverkan med ultrasnabba laserpulser till reaktionsdynamik hos stora molekylära system, med fokus på utveckling av nya och effektiva beräkningsverktyg och algoritmer.
I min undervisning använder jag ofta datorlaborationer för att illustrera kvantmekaniska fenomen.
På nationell och Europeisk nivå är jag engagerad i frågor som rör öppen vetenskap och öppna data samt e-infrastrukturfrågor.
Nyckelord
- femtochemistry
- quantum dynamics
- scientific computing
Publikationer
Senaste publikationer
- Nonadiabatic wave packet dynamics and predissociation resonances in sodium hydride (2023)
- Resonant inelastic x-ray scattering at the N2 π*-resonance: Lifetime-vibrational interference, radiative electron rearrangement, and wave-function imaging (2021)
- Dynamical Insights into the Decomposition of 1,2-Dioxetane (2017)
- How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane? (2017)
- Non-adabatic dynamics of the 1,2-dioxetane chemiluminescence (2017)
Alla publikationer
Artiklar
- Nonadiabatic wave packet dynamics and predissociation resonances in sodium hydride (2023)
- Resonant inelastic x-ray scattering at the N2 π*-resonance: Lifetime-vibrational interference, radiative electron rearrangement, and wave-function imaging (2021)
- Dynamical Insights into the Decomposition of 1,2-Dioxetane (2017)
- How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane? (2017)
- Non-adabatic dynamics of the 1,2-dioxetane chemiluminescence (2017)
- Wave packet simulations of antiproton scattering on molecular hydrogen (2015)
- Quantum dynamics simulations of model chemiluminescence systems (2014)
- Ab initio quantum mechanical calculation of the reaction probability for the Cl- + PH2Cl -> ClPH2 + Cl- reaction (2013)
- Coherent wave packet dynamics in photo-excited Nal (2013)
- An adaptive pseudospectral method for wave packet dynamics (2012)
- Variational calculations for the hydrogen-antihydrogen system with a mass-scaled Born-Oppenheimer potential (2012)
- Accelerating the convergence of the Lanczos algorithm by the use of a complex symmetric Cholesky factorization (2011)
- Global error control of the time-propagation for the Schrödinger equation with a time-dependent Hamiltonian (2011)
- Spatial Quantum Beats in Vibrational Resonant Inelastic Soft X-Ray Scattering at Dissociating States in Oxygen (2011)
- Internal symmetry and selection rules in resonant inelastic soft x-ray scattering (2011)
- Resonant Inelastic Scattering Spectra of Free Molecules with Vibrational Resolution (2010)
- Strong-field photoionization of O2 at intermediate light intensity (2010)
- A Fourier-coefficient based solution of an optimal control problem in quantum chemistry (2010)
- A perfectly matched layer applied to a reactive scattering problem (2010)
- Stability of the complex symmetric Lanczos algorithm for computing photodissociation cross sections using smooth exterior scaling or absorbing potentials. (2009)
- Molecular quantum wave-packet splitting and revivals in shared phase space (2009)
- Experimental and theoretical study of the photodissociation of bromo-3-fluorobenzene (2008)
- Accurate time propagation for the Schrödinger equation with an explicitly time-dependent Hamiltonian (2008)
- Quantum interference structures in trapped-ion dynamics beyond the Lamb-Dicke and rotating wave approximations (2008)
- Reduced-order modeling, error estimation, and the role of the start-vector (2007)
- Calculation of highly excited vibrational states using a Richardson-Leja-Davidson scheme (2007)
- Molecular quantum wavepacket revivals in coupled electronic states (2007)
- A study of the inner-valence ionization region in HCl and DCl (2004)
- A study of the inner-valence ionization region in HCl and DCl (2004)
- Dynamical interference structures in fully coupled bound-bound state quantum wave-packet dynamics (2004)
- Dynamical interference structures in fully coupled bound-bound state quantum wave-packet dynamics (2004)
- Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene (2004)
- Photodissociation of Bromobenzene, Dibromobenzene, and 1,3,5-Tribromobenzene (2004)
- Lanczos algorithms and cross correlation functions C-if(E) (2003)
- Lanczos algorithms and cross correlation functions (2003)
- Properties of a discretized coherent state representation and the relation to Gabor analysis (2002)
- Nonadiabatic effects in the photoelectron spectra of HCl and DCl. II. Theory (2002)
- Nonadiabtic effects in the photoelectron spectra of HCl and DCl II: Theory (2002)
- Confirmation of non adiabatic vibrational progression in the inner valence 4sigmaminus photoionization band of DCl and HCl (2002)
- Cross correlation functions Cnm(E) via Lanczos algorithms without diagonalization (2002)
- Correlation functions and thermal rate constants (2001)
- Correlation functions and thermal rate constants (2001)
- Predissociation resonances in CO and IBr (2000)
- Injection time in the metaloxide-molecule interface calculated within the tight-binding model (2000)
- Injection time in the metaloxide-molecule interface calculated within the tight-binding model (2000)
- Vibrational wave packet dynamics in NaK (1999)
- Accurate resonances and effective absorption of flux using smooth exterior scaling (1998)
- Exterior complex dilation for grid methods (1998)
- Density of states of alternant cyclic polyenes (CH)(N) by a direct Lanczos method (1997)
- Density of states of alternant cyclic polyenes (CH)(N) by a direct Lanczos method (1997)
- Theoretical calculation of photodetachment intensities for H3O- (1996)
- Theoretical calculation of photodetachment intensities for H3O- (1996)
- The quasi‐minimal residual algorithm applied to complex symmetric linear systems in quantum reactive scattering (1995)
- THE QUASI-MINIMAL RESIDUAL ALGORITHM APPLIED TO COMPLEX SYMMETRICAL LINEAR-SYSTEMS IN QUANTUM REACTIVE SCATTERING (1995)
- Dynamics of hydrogenic wave packets in electric and magnetic fields (1994)
- A direct recursive residue generation method (1994)
- A DIRECT RECURSIVE RESIDUE GENERATION METHOD - APPLICATION TO PHOTOIONIZATION OF HYDROGEN IN STATIC ELECTRIC-FIELDS (1994)
- Perturbed hydrogenic manifolds studied by the recursive residue generation method (1992)
- PERTURBED HYDROGENIC MANIFOLDS STUDIED BY THE RECURSIVE RESIDUE GENERATION METHOD (1992)
Böcker
Konferenser
- Swedish eScience Education – a Graduate School in eScience (2015)
- Time-marching methods for the time-dependent Schrödinger equation (2004)
Rapporter
