Women in theoretical/computational chemistry, material science, and biochemistry

Remembering our recently deceased colleagues

Victoria Buch (The Hebrew University of Jerusalem, Jerusalem, Israel)

Methodology: Quantum Mechanics; Dynamics.

Applications: Water; Clusters.

Website: fhrc.huji.ac.il/people/victoria-buch

Natalie Cann (Queen's University, Kingston, Ontario, Canada)

Methodology: Molecular Dynamics; Polarizable Fluid Models; Parallel Algorithms.

Applications: Chirality; Chirality Transfer; Racemic Fluids.

Website: https://www.queensu.ca/gazette/stories/queens-remembers-natalie-cann

Charusita Chakravarty (Indian Institute of Technology, Delhi, India)

Methodology: Classical and Quantum Monte Carlo; Molecular Dynamics.

Applications: Liquids; Phase Transitions; Self-Assembly.

Website: www.ias.ac.in/public/Resources/Initiatives/Women_in_Science/charusita_obituary.pdf

Sally Chapman (Barnard, Columbia University, New York City, New York, U.S.A.)

Website: https://barnard.edu/news/remembering-professor-sally-chapman

Branka Ladanyi (Colorado State University, Fort Collins, Colorado, U.S.A.)

Methodology: Statistical Mechanics and Molecular Simulation.

Applications: Dynamics and Structure in Liquids, Supercritical Fluids, and Molecular Clusters; Confined Liquids; Micells; Solvation Dynamics.

Website: physicstoday.scitation.org/do/10.1063/PT.5.6235/full/

Helene Lefebvre-Brion (ISMO, Orsay, France)

Methodology: Quantum Chemistry.

Applications: Spectroscopy; Diatomic Molecules; Rydberg States.

Website: scholar.google.fr/citations?hl=fr&user=e_Cmmy0AAAAJ&view_op=list_works&sortby=pubdate

Obituary: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=molecular-dynamics-news;55b2dcd0.1810

Alenka Luzar (Virginia Commonwealth University, Richmond, Virginia, U.S.A.)

Methodology: Atomistic Simulations; Statistical Mechanics.

Applications: Polyatomic Liquids; Phase Transitions; Interfacial Chemistry; Chemical Kinetics and Reactivity; Confined and Metastable Liquids; Supercritical Fluids; Intermolecular Forces; Conformational Dynamics and Folding Kinetics; Biomacromolecular Solvation; Hydration in Drug Design; Self-Assembly; Wetting/Dewetting; Adhesion; Surface Properties; Soft Materials.

Obituary: < cen.acs.org/people/obituaries/Obituary-Alenka-Luzar/97/i28

Carmela Valdemoro (Instituto Matematicas Fisica Fundamental, Madrid, Spain)

Methodology: Reduced Density Matrices; Contracted Schroedinger Equation; DFT.

Website: www.abinitsim.iff.csic.es/in-memoriam-carmela-valdemoro

Martina Roeselova (Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic)

Methodology: Molecular Dynamics.

Applications: Chemistry at Interfaces; Atmospheric Chemistry; Biochemistry.

Website: www.uochb.cz/en/mrf

This project is funded by the National Science Foundation. Content by Anna I. Krylov (krylov.AT.usc.DOT.edu). Copyright: 2013. All rights reserved.