Dmitrii V Shalishilin

13PUBLICATIONS
62CO-AUTHORS
Computational chemistryCondensed matter modelling and density functional theoryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Radiation and matterChemical thermodynamics and energetics
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Publications (13)

|Jul 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

|Oct 02, 2025
A new form of particle number conserving fermionic coherent states for electronic structure theory and electron dynamics.

Dmitrii V Shalashilin, Dmitry V Makhov

|Aug 09, 2024
Full wave function cloning for improving convergence of the multiconfigurational Ehrenfest method: Tests in the zero-temperature spin-boson model regime.

Ryan Brook, Christopher Symonds, Dmitrii V Shalashilin

|Apr 25, 2024
Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations.

Dmitry V Makhov, Lewis Hutton, Adam Kirrander

|Mar 19, 2024
Dissociation of Hydrofluorocarbon Molecules after Electron Impact in Plasma.

Dmitry V Makhov, Gregory Armstrong, Hsiao-Han Chuang

|Jul 28, 2023
NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations.

Victor M Freixas, Walter Malone, Xinyang Li

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Frequent Collaborators

5 joint publications

Dmitry V Makhov

3 joint publications

Victor M Freixas

3 joint publications

Sergei Tretiak

3 joint publications

Sebastian Fernandez-Alberti