Herchel Smith Fellow
David Furman, PhD MRSC holds a joint appointment as the Herchel Smith Research Fellow in the Department of Chemistry and a Darwin Research Fellow at Darwin College. He obtained a PhD in Theoretical Chemistry from the Fritz Haber Center at HUJI working with Prof. Yehuda Zeiri and Prof. Ronnie Kosloff. In Cambridge, he collabroates closely with the group of Prof. David Wales on development and application of reactive energy landscape methods.
Click here to find out about his chemical ancestors.
Publications
Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical Applications
– Journal of chemical theory and computation
(2020)
17,
497
(doi: 10.1021/acs.jctc.0c01043)
A well-behaved theoretical framework for ReaxFF reactive force fields.
– J Chem Phys
(2020)
153,
021102
(doi: 10.1063/5.0013906)
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields
– Journal of Physical Chemistry Letters
(2019)
10,
7215
(doi: 10.1021/acs.jpclett.9b02810)
Modeling Diffusion in Functional Materials: From Density Functional Theory to Artificial Intelligence
– Advanced Functional Materials
(2019)
30,
1900778
(doi: 10.1002/adfm.201900778)
Hydrogen transfer through different crystal phases of nickel oxy/hydroxide
– Physical chemistry chemical physics : PCCP
(2018)
20,
25169
(doi: 10.1039/C8CP01930D)
Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields
– J Chem Theory Comput
(2018)
14,
3100
(doi: 10.1021/acs.jctc.7b01272)
Cavitation-Induced Synthesis of Biogenic Molecules on Primordial Earth.
– ACS central science
(2017)
3,
1041
(doi: 10.1021/acscentsci.7b00325)
Thermal Decomposition of Erythritol Tetranitrate: A Joint Experimental and Computational Study
– The Journal of Physical Chemistry C
(2017)
121,
16145
(doi: 10.1021/acs.jpcc.7b04668)
Electronic structure of β-NiOOH with hydrogen vacancies and implications for energy conversion applications
– MRS Communications
(2017)
7,
206
(doi: 10.1557/mrc.2017.26)
Effects of Nanoscale Heterogeneities on the Reactivity of Shocked Erythritol Tetranitrate
– The Journal of Physical Chemistry C
(2016)
120,
28886
(doi: 10.1021/acs.jpcc.6b11543)
- 1 of 2
