Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Program
-
Field
-
atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
-
functional theory – a molecular-scale continuum description of inhomogeneous systems – in process design and, therefore, to fuse the scales from molecules to processes. To overcome the computational challenge
-
, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. will be a part of the Physical Chemistry section at DTU Chemistry (https://www.kemi.dtu.dk/english/research
-
, statistical mechanics, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. You will be a part of the Physical Chemistry section at DTU Chemistry (https
-
candidate would work on projects in methods development for coupled electron-nuclear dynamics based on the exact factorization approach and time-dependent density functional theory. Projects involve theory
-
candidate would work on projects in methods development for coupled electron-nuclear dynamics based on the exact factorization approach and time-dependent density functional theory. Projects involve theory
-
-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
-
on diffusive and equilibrium isotope fractionation theories. - Skills in molecular dynamics simulations and data processing. - Ability to propose and develop laboratory experiments. - Knowledge in analytical
-
prerequisites): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors
-
): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors for graphene. Engineer