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Q. How do I fix certain atoms during DFT calculation?
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160
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158
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151
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April 30, 2025
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147
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March 22, 2024
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146
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August 18, 2025
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146
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March 26, 2024
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143
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December 11, 2025
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143
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September 22, 2025
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138
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March 25, 2024
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137
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August 27, 2025
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136
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May 20, 2024
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135
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December 23, 2024
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134
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January 7, 2026
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AI in Science: MIT's Groundbreaking Study on Materials Discovery
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132
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November 19, 2024
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International Materials Science and Engineering Congress - MSE 2024, held in Darmstadt, Germany
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130
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March 28, 2024
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128
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April 24, 2024
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127
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126
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May 13, 2024
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125
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December 23, 2024
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125
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March 26, 2024
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ReX2 IR/RAMAN Spectroscopy
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1
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87
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February 11, 2025
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123
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122
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September 2, 2025
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121
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March 26, 2024
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120
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First edition of the Spring School on DFT, Molecular Dynamics and Energy Efficiency, May 19-21, 2025
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117
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November 4, 2024
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Researchers at Texas A&M University Introduces ComFormer: A Novel Machine Learning Approach for Crystal Material Property Prediction
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117
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March 26, 2024
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Q. Why has my calculation been stopped?
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115
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June 4, 2024
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115
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March 26, 2024
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[Battery] Lab.2 Lithium Diffusion in Battery Materials – Activation Barrier in Bulk Structure
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114
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July 25, 2025
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Q. What is GAMESS-US?
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114
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June 7, 2024
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112
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December 16, 2024
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Q. How do I set up a Pseudopotential file?
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112
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June 5, 2024
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112
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May 27, 2024
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111
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December 23, 2024
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Q. What calculations can be performed with SIESTA?
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111
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June 7, 2024
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Deep-learning model aims for precise and realistic materials simulation
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110
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109
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January 13, 2026
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109
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March 26, 2024
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[Chemistry] Lab.2 Structural Isomer
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108
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November 10, 2025
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107
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February 12, 2025
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Q. How do I connect modules?
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103
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June 3, 2024
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[Battery] Lab.3 Exploring Lithium Adsorption – Coverage-Dependent Energies on MoS₂
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102
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August 1, 2025
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Advancing Technology with 2D Quantum Materials
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101
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March 27, 2024
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100
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March 28, 2024
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100
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March 26, 2024
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Research team proposes a novel type of acoustic crystal with smooth, continuous changes in elastic properties
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98
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March 27, 2024
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Q. How can I restart a job if it is stopped?
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97
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June 7, 2024
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Materials Square Pricing Policy Update
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97
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May 30, 2025
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Materials Science MEGA Webinar | 20Visioneers15
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96
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March 27, 2024
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