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
J Chem Theory Comput
(2020)
17
497
(doi: 10.1021/acs.jctc.0c01043)
A well-behaved theoretical framework for ReaxFF reactive force fields
The Journal of chemical physics
(2020)
153
021102
(doi: 10.1063/5.0013906)
Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields.
J Phys Chem Lett
(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.
Phys Chem Chem Phys
(2018)
20
25169
(doi: 10.1039/C8CP01930D)
Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields
Journal of Chemical Theory and Computation
(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)
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