2024

May

Dylan is selected to receive the Henry Rutgers Scholar Award. It is a recognition of Dylan's excellent undergraduate research and thesis. Congrats Dylan!

Zelin's work "Unexpected Intermolecular C-H⋅⋅⋅O Hydrogen Bonds and 1H NMR Chemical Shifts in a Key Linker for Fluorine-18 Labeling of Dimeric Drugs" in published on J. Phys. Chem. B. Congrats Zelin!

April

Cheng successfully defended his dissertation. Congrats Dr. Qian!

February

Shengmin's work Short hydrogen bonds in proteins is published Comprehensive Computational Chemistry.

Welcome Rohini for joining our group!

2023

May

Wilson successfully defended his dissertation. Congrats!

March

Wenting's work "Modeling the Infrared Spectroscopy of Oligonucleotides with 13C Isotope Labels" has been published in the Journal of Physical Chemistry B. In this joint theoretical and experimental paper, we provide a new strategy to model the IR spectra of oligonucleotides. It is featured as the Supplementary Cover Art of the journal. Keep up the good work Wenting!

cover JPCB

January

In recognition of her excellent research achievements, Wenting has been selected to receive the Van Dyke Award in the Department of Chemistry and Chemical Biology. In addition, she receives the Zhou family fellowship in our department. Congrats Wenting!

2022

December

In collaboration with Professor Masha Kamenetska, we have identified the adsorption configuration of adenine on gold tips in single molecule conductance measurements. This work is featured on the cover of the Journal of Chemical Physics.

October

Shengmin's work on the PDB search for short hydrogen bonds has been highlighted on Atlas of Science.

Wilson has published his first leading-author paper. It is a computational study on how metal-organic frameworks adsorb sulfur contaminants from a model fuel. Congrats! 

September

In collaboration with Professor Laura Fabris, we have published a joined paper on the adsorption of guest molecules on nanoparticles. Good job Zelin and Wilson!

August

In collaboration with Professor Jianyuan Zhang, we have published our first paper on organic chemistry reactions. Cheng initiated the collaboration and performed all the calculations and analyses. Good job Cheng!

July

Lu is promoted to Associate Professor.

June

Daniel and Lu's joint paper Quantum mechanical effects in acid–base chemistry is highlighted in Chemistry World! Go Quantum!

 

2021

December

Our joint paper with Professor Sijian Wang at the Department of Statistics "Effective prediction of short hydrogen bonds in proteins via machine learning method" is accepted by Scientific Reports! Good work Shengmin and Yuanhao!

Welcome Rui to join our team!

Lu received the 2021 Scialog: Chemical Machinery of the Cell team award from the Research Corporation for Science Advancement and the Gordon and Betty Moore Foundation!

Shengmin successfully defended his Ph.D. thesis! Congratulations to Dr. Zhou! The group celebrated virtually with Shengmin centered "on stage".

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2020

October

Paul successfully defended his Ph.D. thesis! Congratulations to Paul! The group had an online celebration (with their colorful WebEx background).
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September

Sheng and Lu's paper "Quantum effects and 1H NMR chemical shifts of a bifurcated short hydrogen bond" is published in J. Chem. Phys..

July

The paper that Wenting and Paul worked together "Modeling the structure and infrared spectraof omega-3 fatty acid esters" is published in J. Chem. Phys..

April

Shengmin and Lu's paper "Symmetry and 1H NMR chemical shifts of short hydrogen bonds: Impact of electronic and nuclear quantum effects" is featured as a 2020 PCCP HOT Article.

The paper "Quantum kinetic energy and isotope fractionation in aqueous ionic solutions" by Lu, Michele and Tom is featured as a 2020 PCCP HOT Article.

March

Shengmin and Lu's paper "Symmetry and 1H NMR chemical shifts of short hydrogen bonds: Impact of electronic and nuclear quantum effects" is published on PCCP and is featured as the inside front cover of the journal.
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Paul and Lu's paper "Modeling the vibrational couplings of nucleobases" is published in J. Chem. Phys.

January

Lu received the ACS OpenEye Outstanding Junior Faculty Award (poster for the Spring 2020 ACS meeting).

Paul received the Reid Award, and Shengmin received the Van Dyke award from the Department of Chemistry and Chemical Biology at Rutgers University. These awards are granted to students who show outstanding performance in research. Congratulations to both of them!

studentawards

Wenting and Zelin join the group. Welcome!

 

2019

September

Lu visited Stanford and presented at the 2019 Annual Center for Molecular Analysis and Design Symposium. It's nice to be back and Lu acknowledges CMAD for supporting her postdoctoral research.

August

Lu and Wei (UCSD) organize a symposium At the Interfaces of Experimental & Theoretical Nonlinear Optical Molecular Spectro-Imaging in the Fall ACS meeting, which is held in San Diego.

June

Lu is selected as a Scialog Fellow by the Research Corporation for Science Advancement and the Gordon and Betty Moore Foundation.

The paper by Paul and Lu titled "Development of Vibrational Frequency Maps for Nucleobases" has been accepted by J. Phys. Chem. B. This is also Paul's first paper - congratulations!

The paper by Shengmin and Lu titled "Unraveling the Structural and Chemical Features of Biological Short Hydrogen Bonds" has been accepted by Chemical Science. Good job Shengmin and Congratulations!

 

2018

December

Cheng joins the group.

November

The paper by Gangotri, Letao, Ki-Bum and Lu titled "Characterizing Molecular Adsorption on Biodegradable MnO2 Nanoscaffolds" has been accepted for publication in the Journal of Physical Chemistry C.

July

Lu and Wei (UCSD) organize the TSRC workshop Advances of Multidimensional Vibrational Spectroscopy in Water, Biology and Materials Science. 

tsrc

June

Lu is invited to visit Nanjing University, her undergraduate institution.

summervisit

Picture left to right: Professors Mengning Ding, Jing Ma, Shuhua Li, Lu Wang, Wei Li, Yongle Li (Shanghai University) and Yanzi Zhou.

March

Yaoyukun receives the Teaching Assistant and Graduate Assistant Professional Development Fund Award. Congratulations!

Welcome Wenting for undergraduate research.

January

Yuxuan joins the group.

 

2017

June

Lu receives the Rutgers 2017-2018 Research Council Grant Award.

Gangotri and Lu are awarded an XSEDE Research Allocation for computational studies of metal-organic frameworks.

 

2016

December

Shengmin joins the group.

September

Gangotri joins the group as a postdoctoral researcher.

Welcome Meredith for undergraduate research.

July

Welcome Tram for undergraduate summer research

Welcome Allison and Chloe, two high school students, to visit the group.

May

Welcome Adam for undergraduate summer research.

March

Yaoyukun (Paul) joins the group.

January

Lu joins the Department of Chemistry and Chemical Biology at Rutgers University (departmental welcome page).