First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance

by Sun, Ruoshi, Chan, Maria K., Ceder, Gerbrand
Published 2011

First-principles quantum transport with electron-vibration interactions: A maximally localized Wannier functions approach

by Kim, Sejoong, Marzari, Nicola
Published 2014

First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs

by Singh, David J., Liu, Te Huan, Zhou, Jiawei, Liao, Bolin, Chen, Gang
Published 2017

A first-principles study of nonlinear elastic behavior and anisotropic electronic properties of two-dimensional HfS2

by Faghihnasiri, Mahdi, Ahmadi, Aidin, Alvankar Golpayegan, Samaneh, Garosi Sharifabadi, Saeideh, Ramazani, Ali
Published 2020

First-principles theory of orbital magnetization

by Ceresoli, Davide, Gerstmann, Uwe, Seitsonen, Ari P., Mauri, Francesco
Published 2010

First-principles study of thermal transport in FeSB[subscript 2]

by Liao, Bolin, Lee, Sangyeop, Esfarjani, Keivan, Chen, Gang
Published 2014

First-Principles Prediction of the Equilibrium Shape of Nanoparticles Under Realistic Electrochemical Conditions

by Bonnet, Nicephore, Marzari, Nicola
Published 2013

From the computer to the laboratory: materials discovery and design using first-principles calculations

by Hautier, Geoffroy, Jain, Anubhav, Ong, Shyue Ping
Published 2016

Scanning-probe Single-electron Capacitance Spectroscopy

by Walsh, Kathleen A., Romanowich, Megan E., Gasseller, Morewell, Kuljanishvili, Irma, Ashoori, Raymond, Tessmer, Stuart
Published 2019

Learning Guided Electron Microscopy with Active Acquisition

by Mi, Lu, Wang, Hao, Meirovitch, Yaron, Schalek, Richard, Turaga, Srinivas C., Lichtman, Jeff W., Samuel, Aravinthan D. T., Shavit, Nir N.
Published 2021

First-principles determination of charge and orbital interactions in Fe[subscript 3]O[subscript]4

by Zhou, Fei, Ceder, Gerbrand
Published 2010

The diabatic picture of electron transfer, reaction barriers and molecular dynamics

by Van Voorhis, Troy, Kowalczyk, Timothy Daniel, Kaduk, Benjamin James, Wang, Lee-Ping, Cheng, Chiao-Lun, Wu, Qin
Published 2012

Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations

by Difley, Seth, Wang, Lee-Ping, Yeganeh, Sina, Yost, Shane Robert, Van Voorhis, Troy
Published 2012

Modeling Disease Severity in Multiple Sclerosis Using Electronic Health Records

by Xia, Zongqi, Secor, Elizabeth, Chibnik, Lori B., Bove, Riley M., Cheng, Suchun, Chitnis, Tanuja, Cagan, Andrew, Gainer, Vivian, Chen, Pei, Liao, Katherine P., Shaw, Stanley Y., Ananthakrishnan, Ashwin N., Szolovits, Peter, Weiner, Howard L., Karlson, Elizabeth W., Murphy, Shawn N., Savova, Guergana K., Cai, Tianxi, Churchill, Susanne, Plenge, Robert M., Kohane, Isaac, De Jager, Philip L.
Published 2014

Effect of electron-phonon interaction on lattice thermal conductivity of SiGe alloys

by Xu, Qian, Zhou, Jiawei, Liu, Te-Huan, Chen, Gang
Published 2021

First-Principles Study of All Thermoelectric Properties of Si-Ge Alloys Showing Large Phonon Drag from 150 to 1100 K

by Xu, Qian, Zhou, Jiawei, Liu, Te-Huan, Chen, Gang
Published 2022

Inputs to Affect Virtual and Real Environments

by Coleman, Beth
Published 2010

Using Sensor Inputs to Affect Virtual and Real Environments

by Coleman, Beth
Published 2010

Quantum sensing

by Degen, C. L, Reinhard, F., Cappellaro, Paola
Published 2020

Social Persuasion in Online and Physical Networks

by Singh, Vivek K., Mani, Ankur, Pentland, Alex
Published 2021