(color-coded by Publication, Personnel, Funding & Awards, Other)

September 25, 2017: Our collaborative research proposal to study carbohydrates using molecular mechanics (PI: Prof. Xi Chen) is selected for funding by NIH!

September 7, 2017: Our collaborative research proposal to study photodissociation (PI: Prof. Kyle Crabtree) is selected for funding by the NASA Astrophysics Program!

July 26, 2017: LPW's coauthored paper with Peter Eastman and Vijay Pande, "OpenMM 7: Rapid development of high performance algorithms for molecular dynamics", is published in PLOS Computational Biology. (DOI, PDF)

July 24, 2017: Our collaborative research proposal to study metamorphic proteins (PI: Prof. Andy LiWang at UC Merced) is selected for funding by the Army Research Office!

June 19, 2017: John Stoppelman, an undergraduate student at Loras College, joins the research group for the summer as part of the NSF-sponsored ChemEnergy REU program. Welcome!

March 23, 2017: LPW's research proposal to study deep eutectic solvents is selected for funding by the ACS Petroleum Research Fund!

March 17, 2017: LPW's paper with Vijay Pande, "Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15", is published in the Journal of Physical Chemistry B. (DOI, PDF)

January 12, 2017: LPW's coauthored paper with Yihan Shao, "An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches", is published in Journal of Chemical Theory and Computation. (DOI, PDF)

December 6, 2016: Hyesu Jang, a graduate of Ewha Women's University in Korea, joins our research group as a Ph.D. candidate. Welcome!

December 6, 2016: Nanhao Chen, a graduate of Sun Yat-Sen University in China, joins our research group as a Ph.D. candidate. Welcome!

December 6, 2016: Lisa Gong, a graduate of UC Davis, joins our research group as a Ph.D. candidate. Welcome!

November 28, 2016: LPW's coauthored paper with Xi Chen, "A Chemical Biology Solution to Problems with Studying Biologically Important but Unstable 9-O-Acetyl Sialic Acids", is published in ACS Chemical Biology. (DOI, PDF)

October 27, 2016: LPW's coauthored paper with Keri McKiernan and Vijay Pande, "Training and Validation of a Liquid-Crystalline Phospholipid Bilayer Force Field", is published in Journal of Chemical Theory and Computation. (DOI, PDF)

August 11, 2016: LPW's coauthored paper with Teresa Head-Gordon, "Advanced Potential Energy Surfaces for Molecular Simulation", is published in the Journal of Physical Chemistry B. (DOI, PDF)

August 6, 2016: LPW's coauthored paper with Chi-Yuen Wang and Michael Manga, "Large earthquakes create vertical permeability by breaching aquitards", is published in Water Resources Research. (DOI, PDF)

June 12, 2016: Johnson Liu, an undergraduate student at University of the Pacific, joins the research group for the summer as part of the NSF-sponsored ChemEnergy REU program. Welcome!

June 6, 2016: LPW's paper, "Geometry optimization made simple with translation and rotation coordinates", is published in the Journal of Chemical Physics. (DOI, PDF)

December 18, 2015: LPW's paper with Todd Martínez, "Automated Discovery and Refinement of Reactive Molecular Dynamics Pathways", is published in Journal of Chemical Theory and Computation. (DOI, PDF)

December 6, 2015: Marshall Hutchings, a graduate of Brigham Young University, joins our research group as a Ph.D. candidate. Welcome!

December 3, 2015: Yudong Qiu, a recent graduate from Fritz Schaefer's research group at the University of Georgia, is coming to join us at UC Davis as a postdoctoral researcher. Welcome!

November 17, 2015: LPW's coauthored paper with Chenchen Song and Todd Martínez, "Automated Code Engine for Graphical Processing Units: Application to the Effective Core Potential Integrals and Gradients", is published in the Journal of Chemical Theory and Computation. (DOI, PDF)

October 20, 2015: LPW's coauthored paper with Robert McGibbon and Vijay Pande, "MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories", is published in Biophysical Journal. (DOI, PDF)

September 1, 2015: We would like to thank Walt Disney Imagineering for their generous gift to support fundamental research in water purification technology using molecular dynamics simulation.

July 7, 2015: LPW's coauthored paper with Pengyu Ren, "United polarizable multipole water model for molecular mechanics simulation", is published in the Journal of Chemical Physics. (DOI, PDF)

July 7, 2015: LPW's coauthored paper with Chenchen Song and Todd Martínez, "Efficient implementation of effective core potential integrals and gradients on graphical processing units", is published in the Journal of Chemical Physics. (DOI, PDF)

July 1, 2015: The research group at UC Davis is officially open for business.