## [The Fritz Haber Research Center for Molecular Dynamics](https://fhrc.huji.ac.il)
[Institute of Chemistry](https://chemistry.huji.ac.il/), [The Hebrew University](https://en.huji.ac.il/)
```
"Heaven" - is what I cannot reach!
The apple on the tree - provided it do hopeless hang
Emily Dickinson
```
### Selected Recent Publications
> On Android Chrome: Long-press link to **“download”** the PDF
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| ![[bias-and-its-control-in-stochastic-approaches-to-electronic-structure-theory.png\|800]] | [[Bias and its control in stochastic approaches-to-electronic structure theory]], Pavel Savchenko, Sayak Adhikari, Efrat Hadad, Eran Rabani, and Roi Baer, JCTC, 2026, https://doi.org/10.1021/acs.jctc.5c01970 |
| | [[Non-adiabatic Origin of Roaming OH Dynamics in the Formic Acid Dimer Dication]], Saroj Barik, Ester Livshits, Roi Baer and Daniel Strasser, PCCP accepted (2026) |
| ![[Adhikari and Baer - 2025 - Stochastically Bundled Dissipators for the Quantum Master Equation.png]] | [[Stochastically Bundled Dissipators for the Quantum Master Equation]], Adhikari, S.; Baer, R. . _J. Chem. Theory Comput._ **2025**, _21_ (8), 4142–4150. [https://doi.org/10.1021/acs.jctc.5c00145](https://doi.org/10.1021/acs.jctc.5c00145). |
| ![[Fabian et al. - 2025 - Compact Gaussian basis sets for stochastic DFT calculations.jpeg\|800]] | [[Fabian et al. - 2025 - Compact Gaussian basis sets for stochastic DFT calculations.pdf\|Compact Gaussian Basis Sets for Stochastic DFT Calculations.]]<br>Fabian, M. D.; Rabani, E.; Baer, R. _Chemical Physics Letters_ **2025**, _865_, 141912. [https://doi.org/10.1016/j.cplett.2025.141912](https://doi.org/10.1016/j.cplett.2025.141912). |
| ![[Barik et al. - 2025 - Ultrafast and Ultraslow Proton-Transfer Dynamics Induced by Formic Acid Dimer Ionization.png\|800]] | [[Barik et al. - 2025 - Ultrafast and Ultraslow Proton-Transfer Dynamics Induced by Formic Acid Dimer Ionization.pdf\|Ultrafast and Ultraslow Proton-Transfer Dynamics Induced by Formic Acid Dimer Ionization.]] Barik, S.; Livshits, E.; Baer, R.; Strasser, D. _J. Phys. Chem. A_ **2025**. [https://doi.org/10.1021/acs.jpca.5c02619](https://doi.org/10.1021/acs.jpca.5c02619). |
| ![[Adhikari and Baer - 2024 - Weak second-order quantum state diffusion unraveling of the Lindblad master equation.png\|800]] | [[Weak Second-Order Quantum State Diffusion Unraveling of the Lindblad Master Equation]], Adhikari, S.; Baer, R., _J Chem Phys_ **2024**, _160_ (6), 064107. [https://doi.org/10.1063/5.0191947](https://doi.org/10.1063/5.0191947). |
| ![[Savchenko and - 2024 - The Effect of the Capping Agents of Nanoparticles on Their Redox Potential.png\|800]] | [[Savchenko and - 2024 - The Effect of the Capping Agents of Nanoparticles on Their Redox Potential.pdf\|The Effect of the Capping Agents of Nanoparticles on Their Redox Potential]], Savchenko, P.; Zelikovich, D.; Elgavi Sinai, H.; Baer, R.; Mandler, D. _J. Am. Chem. Soc._ **2024**, _146_ (32), 22208–22219. [https://doi.org/10.1021/jacs.4c02524](https://doi.org/10.1021/jacs.4c02524). |
| ![[hadad-et-al2024-WDM.png\|800]] | [[Hadad et al. - 2024 - Stochastic density functional theory combined with Langevin dynamics for warm dense matter.pdf\|Stochastic Density Functional Theory Combined with Langevin Dynamics for Warm Dense Matter]], Hadad, R. E.; Roy, A.; Rabani, E.; Redmer, R.; Baer, R. _Phys. Rev. E_ **2024**, _109_ (6), 065304. [https://doi.org/10.1103/PhysRevE.109.065304](https://doi.org/10.1103/PhysRevE.109.065304). |
| ![[Livshits et al. - 2024 - Symmetry-breaking dynamics of a photoionized carbon dioxide dimer.svg\|800]] | [[Livshits et al. - 2024 - Symmetry-breaking dynamics of a photoionized carbon dioxide dimer.pdf\|Symmetry-breaking dynamics of a photoionized carbon dioxide dimer]], Livshits, E.; Bittner, D. M.; Trost, F.; Meister, S.; Lindenblatt, H.; Treusch, R.; Gope, K.; Pfeifer, T.; Baer, R.; Moshammer, R.; Strasser, D., _Nat Commun_ **2024**, _15_ (1), 6322. [https://doi.org/10.1038/s41467-024-50759-2](https://doi.org/10.1038/s41467-024-50759-2). |