-------- Forwarded Message -------- Subject: job posting from Geoff Wood Date:
Thu, 29 Oct 2015 14:40:24 +0000 From: Wood, Geoffrey
<Geoffrey.Wood(a)pfizer.com> <Geoffrey.Wood(a)pfizer.com> To:
ovchinn(a)fas.harvard.edu <ovchinn(a)fas.harvard.edu> <ovchinn(a)fas.harvard.edu>
We are looking to hire a computational chemist for a contract position at
here to study the properties and stability of crystalline small molecules.
This person would be part of the Materials Science group, which is actively
involved in drug development activities spanning lead development through
to commercialization. This position is based in Groton, Connecticut. Could
you distribute to candidates that would fit this position and forward to
other colleagues that may have suitable people? Please see our
advertisement below for further information.
<https://urldefense.proofpoint.com/v2/url?u=http-3A__chc.tbe.taleo.net_chc04_ats_careers_requisition.jsp-3Forg-3DLANCASTERLABS-26cws-3D1-26rid-3D4218&d=CwMFAw&c=UE1eNsedaKncO0Yl_u8bfw&r=f9j9_gGn_3AF11L3Ny8IeorRNp0xeZypNpNtV1PpYyw&m=AUslYRgLHULA78RbyfywZti6uWHvEm1CD2tmD5DBPCw&s=NZfZAbSWENqXv5QK0Q_mYSbwgCVn39QJwJSab4xHkeo&e=>*http://chc.tbe.taleo.net/chc04/ats/careers/requisition.jsp?org=LANCASTERLABS&cws=1&rid=4218
<https://urldefense.proofpoint.com/v2/url?u=http-3A__chc.tbe.taleo.net_chc04_ats_careers_requisition.jsp-3Forg-3DLANCASTERLABS-26cws-3D1-26rid-3D4218&d=CwMFaQ&c=WO-RGvefibhHBZq3fL85hQ&r=Nag7FAZF222m7nY-JYl1bJyk44Ms7RJSzJ_X3UF_q7c&m=vArE8dwogyYNbWwYyjhpjN4GwW4dpohUwvvuGFnVaIg&s=dd-hcNAEb5ofPEqSj8vr4hrjfDmvU31v-Lg3xiY4afk&e=>*
*COMPUTATIONAL MATERIAL SCIENTIST*
*Location: Groton, CT*
The use of computational approaches to understand the structural properties
and performance of new pharmaceutical molecules is a new and exciting area
of research. This full-time position will be focused on using the latest
computational approaches to determine the properties and stability of
crystalline small molecule (Mw<~500) compounds that are new drug
candidates. The employee will use a variety of techniques (including
matched molecular pair analysis, full interaction maps, solvation energy
calculation and hydrogen bonding propensity analyses) to compare and rank
new molecules versus existing three-dimensional crystal structures (such as
those in the Cambridge Crystallographic Database (CSD)). This will result
in recommendations for targeted crystallization experiments and/or
modifications to the molecular structure to provide enhanced physical
properties and stability of the material in the solid state. In addition,
the candidate will use computational methods to predict the morphology of
crystalline materials and evaluate interfacial interactions with solvents
and excipients.
Ideal candidates should be well versed in small molecule crystallography
and computational chemistry techniques, and understand the basic concepts
of solid form chemistry as applied to pharmaceutical small molecules. A
recent graduate with a PhD from a chemistry, physics, materials science or
engineering program is likely to be the ideal candidate. Familiarity with
some or all of the following computational tools and techniques is needed:
- CCDC software applications (such as Mercury, Conquest, & Mogul)
- Materials Studio™
- Free energy calculations (in particular solvation energies)
- UNIX/LINUX and HPC environments
- Scripting languages such as Python or Perl
- Data mining, machine learning and management of large data sets
- Contemporary DFT methodology (plane-wave and atomic basis sets)
- Standard QM chemistry codes (such as Gaussian, qChem, GAMESS-US, cp2k,
quantum espresso and VASP)
- All-atom molecular dynamics simulations and classical force-fields
--
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Semion K. Saikin, PhD
Department of Chemistry and Chemical Biology
Harvard University
12 Oxford Street, Cambridge, MA 02138
email: saykin(a)fas.harvard.edu
phone: (619)212-6649
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