## [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 ``` ### News | | | | ------------------------------------ | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | | ![[biasImg.png\|200]] | [[bias-and-its-control-in-stochastic-approaches-to-electronic-structure-theory.pdf\|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 | | ![[Pasted image 20260410160512.png]] | [[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). | | ![[Pasted image 20260410161804.png]] | [[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). | | ![[Pasted image 20260410160434.png]] | [[Adhikari and Baer - 2025 - Stochastically Bundled Dissipators for the Quantum Master Equation_1.pdf\|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). | | ![[Pasted image 20260410160538.png]] | [[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). |