Intrinsically Polar Piezoelectric Self‐Assembled Oligopeptide Monolayers

Glycine–Chitosan-Based Flexible Biodegradable Piezoelectric Pressure Sensor

(2020) Ensieh S. Hosseini et al.   ACS Applied Materials & Interfaces

Biomolecular Piezoelectric Materials: From Amino Acids to Living Tissues

(2020) Daeyeong Kim et al.   ADVANCED MATERIALS

SciPy 1.0: fundamental algorithms for scientific computing in Python

(2020) Pauli Virtanen et al.   NATURE METHODS

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

(2020) Thomas D. Kühne et al.   JOURNAL OF CHEMICAL PHYSICS

A fully sustainable, self-poled, bio-waste based piezoelectric nanogenerator: electricity generation from pomelo fruit membrane

(2020) Satyaranjan Bairagi et al.   Scientific Reports

Piezoelectric and pyroelectric effects induced by interface polar symmetry

(2020) Ming-Min Yang et al.   NATURE

Racemic Amino Acid Piezoelectric Transducer

(2019) Sarah Guerin et al.   PHYSICAL REVIEW LETTERS

Calcium copper titanate/polyurethane composite films with high dielectric constant, low dielectric loss and super flexibility

(2018) Wei Wan et al.   CERAMICS INTERNATIONAL

Large Converse Piezoelectric Effect Measured on a Single Molecule on a Metallic Surface

(2018) Oleksandr Stetsovych et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Diphenylalanine Peptide Nanotube Energy Harvesters

(2018) Ju-Hyuck Lee et al.   ACS Nano

Interplay among Sequence, Folding Propensity, and Bio-Piezoelectric Response in Short Peptides and Peptoids

(2017) Christopher W. Marvin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Control of piezoelectricity in amino acids by supramolecular packing

(2017) Sarah Guerin et al.   NATURE MATERIALS

Bio-waste onion skin as an innovative nature-driven piezoelectric material with high energy conversion efficiency

(2017) Sandip Maiti et al.   Nano Energy

High-performance bio-piezoelectric nanogenerator made with fish scale

(2016) Sujoy Kumar Ghosh et al.   APPLIED PHYSICS LETTERS

Perspective: How good is DFT for water?

(2016) Michael J. Gillan et al.   JOURNAL OF CHEMICAL PHYSICS

Piezoelectric nanogenerators – a review of nanostructured piezoelectric energy harvesters

(2015) Joe Briscoe et al.   Nano Energy

Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics

(2014) Arindam Bankura et al.   Journal of Physical Chemistry C

A review of piezoelectric polymers as functional materials for electromechanical transducers

(2014) Khaled S Ramadan et al.   Smart Materials and Structures

Energy harvesting from low frequency applications using piezoelectric materials

(2014) Huidong Li et al.   Applied Physics Reviews

Single-Molecule Piezoelectric Deformation: Rational Design from First-Principles Calculations

(2013) Xinfeng Quan et al.   Journal of Physical Chemistry C

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics—Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections

(2012) I-Chun Lin et al.   Journal of Chemical Theory and Computation

Virus-based piezoelectric energy generation

(2012) Byung Yang Lee et al.   Nature Nanotechnology

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Experimental and theoretical dielectric studies of PVDF/PZT nanocomposite thin films

(2011) A.K. Zak et al.   CERAMICS INTERNATIONAL

The NumPy Array: A Structure for Efficient Numerical Computation

(2011) Stéfan van der Walt et al.   COMPUTING IN SCIENCE & ENGINEERING

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS