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
Excitation energy Chemical Compounds
wave functions Physics & Astronomy
Density functional theory Chemical Compounds
Synucleins Chemical Compounds
simulation Physics & Astronomy

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

20162019
No photo of C. Filippi

C. Filippi

Person: Academic

20072019

Research Output 2008 2019

  • 59 Article
  • 51 Poster
  • 8 PhD Thesis - Research UT, graduation UT
  • 2 Chapter
2 Citations (Scopus)
1 Downloads (Pure)

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

Open Access
File
Rheology
rheology
Shearing
perturbation
shearing
99 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 UT

Open Access
File
stress relaxation
rheology
polymers
worms
stars

Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries

Dash, M., Feldt, J., Moroni, S., Scemama, A. & Filippi, C., 10 Sep 2019, In : Journal of chemical theory and computation. 15, 9, p. 4896-4906 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Excitation energy
Excited states
configuration interaction
Wave functions
Geometry

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

Coarse graining of polymers: from atoms to flow of polymer solutions in porous media

Willem J. Briels (Keynote speaker)
10 Oct 2018

Activity: Talk or presentationInvited talk