Fingerprint Dive into the research topics where Computational Chemical Physics is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.

proteins Physics & Astronomy
Wave functions Chemical Compounds
Excited states Chemical Compounds
Synucleins Chemical Compounds
Density functional theory Chemical Compounds
simulation Physics & Astronomy
wave functions Physics & Astronomy
Polymers Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Profiles

No photo of M. Dash

M. Dash

Person: PNUT

20162018
No photo of C. Filippi

C. Filippi

Person: Academic

20072019

Research Output 2008 2019

  • 56 Article
  • 51 Poster
  • 8 PhD Thesis - Research UT, graduation UT
  • 2 Chapter
1 Citation (Scopus)

Brownian dynamics investigation of the Boltzmann superposition principle for orthogonal superposition rheology

Metri, V. & Briels, W. J., 4 Jan 2019, In : Journal of chemical physics. 150, 1, 014903.

Research output: Contribution to journalArticleAcademicpeer-review

Rheology
rheology
Shearing
perturbation
shearing
71 Downloads (Pure)

Complex stress relaxations in soft matter studied by computational rheology

Metri, V., 12 Apr 2019, Enschede: University of Twente. 148 p.

Research output: ThesisPhD Thesis - Research UT, graduation UTAcademic

Open Access
File
stress relaxation
rheology
polymers
worms
stars

Taming the complexity of donor-acceptor stenhouse adducts: Infrared motion pictures of the complete switching pathway

Zulfikri, H., Koenis, M. A. J., Lerch, M. M., Di Donato, M., Szymański, W., Filippi, C., Feringa, B. L. & Buma, W. J., 8 May 2019, In : Journal of the American Chemical Society. 141, 18, p. 7376-7384 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

Motion pictures
Motion Pictures
Potential energy surfaces
Switches
Infrared radiation

Activities 2011 2019

  • 6 Invited talk
  • 6 Oral presentation
  • 1 Organising a conference, workshop, ...

Electronic Structure/Multiscale Modelling

Claudia Filippi (Invited speaker)
4 Feb 2019

Activity: Talk or presentationInvited talk

Automated wave function generation for accurate excited states in quantum Monte Carlo

Alice Cuzzocrea (Speaker)
11 Dec 2018

Activity: Talk or presentationOral presentation